! Date  2020-02-11
!
! Number of variables =  undefined
! Number of equations    =  311244
! DLARS code for LASSO used
! DLARS alpha = 0.0001
! DLARS run: ./dlars A_comb.txt b_comb.txt dim.txt --lambda=0.0001 --algorithm=lasso --weights=weights_comb.dat --normalize=n >& dlars.log

! RMS force error =  nan
! max abs variable =  3908.19887304
! number of fitting vars =  2182
! Bayesian Information Criterion =   nan
! Using weighting file:  weights_comb.dat
!
USECOUL: false
FITCOUL: false
USEPOVR: false
FITPOVR: false
USE3BCH: true
USE4BCH: false

PAIRTYP: CHEBYSHEV  12 8 0 -1 1

ATOM TYPES: 3

# TYPEIDX #	# ATM_TYP #	# ATMCHRG #	# ATMMASS #
0		C		0		12.0107
1		N		0		14.0067
2		O		0		15.999

ATOM PAIRS: 6

# PAIRIDX #	# ATM_TY1 #	# ATM_TY1 #	# S_MINIM #	# S_MAXIM #	# S_DELTA #	# CHBDIST #	# MORSE_LAMBDA #
	0               C               C               1.08            3               0.01            MORSE           1.4             
	1               N               N               0.935           3               0.01            MORSE           1.13            
	2               O               O               1.08            3               0.01            MORSE           2.35            
	3               C               N               0.995           3               0.01            MORSE           1.3             
	4               C               O               0.955           3               0.01            MORSE           1.2             
	5               N               O               0.96            3               0.01            MORSE           1.15            

FCUT TYPE: TERSOFF 0.5

PAIR CHEBYSHEV PENALTY DIST:    0.02
PAIR CHEBYSHEV PENALTY SCALING: 1000000.0

SPECIAL 3B S_MAXIM: SPECIFIC 10
CCCCCC CC CC CC 3.00000 3.00000 3.00000 
CCCNCN CC CN CN 3.00000 3.00000 3.00000 
CCCOCO CC CO CO 3.00000 3.00000 3.00000 
CNCNNN CN CN NN 3.00000 3.00000 3.00000 
CNCONO CN CO NO 3.00000 3.00000 3.00000 
COCOOO CO CO OO 3.00000 3.00000 3.00000 
NNNNNN NN NN NN 3.00000 3.00000 3.00000 
NNNONO NN NO NO 3.00000 3.00000 3.00000 
NONOOO NO NO OO 3.00000 3.00000 3.00000 
OOOOOO OO OO OO 3.00000 3.00000 3.00000 

ATOM PAIR TRIPLETS: 10
ATOM PAIR QUADRUPLETS: 0

PAIR CHEBYSHEV PARAMS 

PAIRTYPE PARAMS: 0 C C

0 -22.3416405279
1 9.991423956054
2 -6.975426943187
3 1.522138916278
4 -0.8607258377407
5 2.107066974107
6 -2.450494382222
7 0.6075393845831
8 -0.4032939229531
9 0.5770468647435
10 -0.6855333350413
11 0.5254109036754
 
PAIRTYPE PARAMS: 1 N N

0 6.032592456936
1 11.57081911618
2 2.614242090383
3 -7.917005724114
4 8.229418287383
5 0.2224753695561
6 0.9239671094822
7 -1.174713847289
8 3.24614691441
9 -2.296458575943
10 0.887089625148
11 -0.0009331334258886
 
PAIRTYPE PARAMS: 2 O O

0 -31.68506413688
1 18.21328634329
2 -5.928017516687
3 13.15602372867
4 -11.6648020585
5 7.949578712528
6 -3.487756504078
7 3.502174389637
8 -3.171502434946
9 1.322516316714
10 -0.6397425233484
11 0.3873698922037
 
PAIRTYPE PARAMS: 3 C N

0 -3.032288794861
1 11.85464638299
2 3.689531382371
3 -3.000940965044
4 1.175906583971
5 1.275267355812
6 -0.2233697483747
7 -0.4256839494941
8 0.5948275266625
9 0.08631529090629
10 -0.1971497557096
11 0.2147071116057
 
PAIRTYPE PARAMS: 4 C O

0 -9.091927806649
1 20.35329281444
2 3.969231583633
3 3.169556820228
4 -1.213055631955
5 2.831566572585
6 -1.065828659787
7 1.499037708973
8 0.5663897970059
9 0.2767692441393
10 -0.1790891237699
11 0.4422505706705
 
PAIRTYPE PARAMS: 5 N O

0 13.0721713383
1 6.240612160136
2 11.62532499841
3 -3.74861278799
4 4.27521556458
5 -0.5978367075403
6 -0.01153016949812
7 -0.646879800712
8 1.16573947956
9 -0.1781964321031
10 -0.5267877128879
11 0.5429088039348
 
TRIPLET CHEBYSHEV PARAMS 

TRIPLETTYPE PARAMS:
   INDEX: 0 ATOMS: C C C
PAIRS: CC CC CC UNIQUE: -1 TOTAL: 423
     index  |  powers  |  equiv index  |  param index  |       parameter       
   ----------------------------------------------------------------------------
0 0 1 1 0 0 13.93814477678
1 1 0 1 0 0 13.93814477678
2 1 1 0 0 0 13.93814477678
3 0 1 2 3 1 -3.022816795842
4 1 0 2 3 1 -3.022816795842
5 0 2 1 3 1 -3.022816795842
6 2 0 1 3 1 -3.022816795842
7 1 2 0 3 1 -3.022816795842
8 2 1 0 3 1 -3.022816795842
9 0 1 3 9 2 -1.445184973737
10 1 0 3 9 2 -1.445184973737
11 0 3 1 9 2 -1.445184973737
12 3 0 1 9 2 -1.445184973737
13 1 3 0 9 2 -1.445184973737
14 3 1 0 9 2 -1.445184973737
15 0 1 4 15 3 -12.93198698576
16 1 0 4 15 3 -12.93198698576
17 0 4 1 15 3 -12.93198698576
18 4 0 1 15 3 -12.93198698576
19 1 4 0 15 3 -12.93198698576
20 4 1 0 15 3 -12.93198698576
21 0 1 6 27 5 -2.681841907453
22 1 0 6 27 5 -2.681841907453
23 0 6 1 27 5 -2.681841907453
24 6 0 1 27 5 -2.681841907453
25 1 6 0 27 5 -2.681841907453
26 6 1 0 27 5 -2.681841907453
27 0 1 7 33 6 1.875359207502
28 1 0 7 33 6 1.875359207502
29 0 7 1 33 6 1.875359207502
30 7 0 1 33 6 1.875359207502
31 1 7 0 33 6 1.875359207502
32 7 1 0 33 6 1.875359207502
33 0 2 2 39 7 -3.406756593933
34 2 0 2 39 7 -3.406756593933
35 2 2 0 39 7 -3.406756593933
36 0 2 3 42 8 -1.420654567067
37 2 0 3 42 8 -1.420654567067
38 0 3 2 42 8 -1.420654567067
39 3 0 2 42 8 -1.420654567067
40 2 3 0 42 8 -1.420654567067
41 3 2 0 42 8 -1.420654567067
42 0 2 4 48 9 -3.687050398721
43 2 0 4 48 9 -3.687050398721
44 0 4 2 48 9 -3.687050398721
45 4 0 2 48 9 -3.687050398721
46 2 4 0 48 9 -3.687050398721
47 4 2 0 48 9 -3.687050398721
48 0 2 5 54 10 0.08826600876929
49 2 0 5 54 10 0.08826600876929
50 0 5 2 54 10 0.08826600876929
51 5 0 2 54 10 0.08826600876929
52 2 5 0 54 10 0.08826600876929
53 5 2 0 54 10 0.08826600876929
54 0 2 6 60 11 -2.492644875064
55 2 0 6 60 11 -2.492644875064
56 0 6 2 60 11 -2.492644875064
57 6 0 2 60 11 -2.492644875064
58 2 6 0 60 11 -2.492644875064
59 6 2 0 60 11 -2.492644875064
60 0 2 7 66 12 -1.970242471024
61 2 0 7 66 12 -1.970242471024
62 0 7 2 66 12 -1.970242471024
63 7 0 2 66 12 -1.970242471024
64 2 7 0 66 12 -1.970242471024
65 7 2 0 66 12 -1.970242471024
66 0 3 3 72 13 -4.534261069854
67 3 0 3 72 13 -4.534261069854
68 3 3 0 72 13 -4.534261069854
69 0 3 4 75 14 -5.408878651501
70 3 0 4 75 14 -5.408878651501
71 0 4 3 75 14 -5.408878651501
72 4 0 3 75 14 -5.408878651501
73 3 4 0 75 14 -5.408878651501
74 4 3 0 75 14 -5.408878651501
75 0 3 5 81 15 0.8010788665199
76 3 0 5 81 15 0.8010788665199
77 0 5 3 81 15 0.8010788665199
78 5 0 3 81 15 0.8010788665199
79 3 5 0 81 15 0.8010788665199
80 5 3 0 81 15 0.8010788665199
81 0 3 6 87 16 -0.2235369968836
82 3 0 6 87 16 -0.2235369968836
83 0 6 3 87 16 -0.2235369968836
84 6 0 3 87 16 -0.2235369968836
85 3 6 0 87 16 -0.2235369968836
86 6 3 0 87 16 -0.2235369968836
87 0 3 7 93 17 2.954415890781
88 3 0 7 93 17 2.954415890781
89 0 7 3 93 17 2.954415890781
90 7 0 3 93 17 2.954415890781
91 3 7 0 93 17 2.954415890781
92 7 3 0 93 17 2.954415890781
93 0 4 5 102 19 2.663568459485
94 4 0 5 102 19 2.663568459485
95 0 5 4 102 19 2.663568459485
96 5 0 4 102 19 2.663568459485
97 4 5 0 102 19 2.663568459485
98 5 4 0 102 19 2.663568459485
99 0 4 6 108 20 1.681209602811
100 4 0 6 108 20 1.681209602811
101 0 6 4 108 20 1.681209602811
102 6 0 4 108 20 1.681209602811
103 4 6 0 108 20 1.681209602811
104 6 4 0 108 20 1.681209602811
105 0 4 7 114 21 -3.662065745875
106 4 0 7 114 21 -3.662065745875
107 0 7 4 114 21 -3.662065745875
108 7 0 4 114 21 -3.662065745875
109 4 7 0 114 21 -3.662065745875
110 7 4 0 114 21 -3.662065745875
111 0 5 5 120 22 3.869095915388
112 5 0 5 120 22 3.869095915388
113 5 5 0 120 22 3.869095915388
114 0 5 6 123 23 1.364957086817
115 5 0 6 123 23 1.364957086817
116 0 6 5 123 23 1.364957086817
117 6 0 5 123 23 1.364957086817
118 5 6 0 123 23 1.364957086817
119 6 5 0 123 23 1.364957086817
120 0 5 7 129 24 2.757863228468
121 5 0 7 129 24 2.757863228468
122 0 7 5 129 24 2.757863228468
123 7 0 5 129 24 2.757863228468
124 5 7 0 129 24 2.757863228468
125 7 5 0 129 24 2.757863228468
126 0 6 6 135 25 2.129469588882
127 6 0 6 135 25 2.129469588882
128 6 6 0 135 25 2.129469588882
129 0 6 7 138 26 -1.406629694597
130 6 0 7 138 26 -1.406629694597
131 0 7 6 138 26 -1.406629694597
132 7 0 6 138 26 -1.406629694597
133 6 7 0 138 26 -1.406629694597
134 7 6 0 138 26 -1.406629694597
135 0 7 7 144 27 2.217587685735
136 7 0 7 144 27 2.217587685735
137 7 7 0 144 27 2.217587685735
138 1 1 3 151 30 -18.9435581649
139 1 3 1 151 30 -18.9435581649
140 3 1 1 151 30 -18.9435581649
141 1 1 4 154 31 5.90024522508
142 1 4 1 154 31 5.90024522508
143 4 1 1 154 31 5.90024522508
144 1 1 7 163 34 11.64319763918
145 1 7 1 163 34 11.64319763918
146 7 1 1 163 34 11.64319763918
147 1 2 2 166 35 -2.363338569032
148 2 1 2 166 35 -2.363338569032
149 2 2 1 166 35 -2.363338569032
150 1 2 3 169 36 -3.067768872605
151 2 1 3 169 36 -3.067768872605
152 1 3 2 169 36 -3.067768872605
153 3 1 2 169 36 -3.067768872605
154 2 3 1 169 36 -3.067768872605
155 3 2 1 169 36 -3.067768872605
156 1 2 4 175 37 -0.7819714583635
157 2 1 4 175 37 -0.7819714583635
158 1 4 2 175 37 -0.7819714583635
159 4 1 2 175 37 -0.7819714583635
160 2 4 1 175 37 -0.7819714583635
161 4 2 1 175 37 -0.7819714583635
162 1 2 7 193 40 -2.144334334145
163 2 1 7 193 40 -2.144334334145
164 1 7 2 193 40 -2.144334334145
165 7 1 2 193 40 -2.144334334145
166 2 7 1 193 40 -2.144334334145
167 7 2 1 193 40 -2.144334334145
168 1 3 4 202 42 14.11227535115
169 3 1 4 202 42 14.11227535115
170 1 4 3 202 42 14.11227535115
171 4 1 3 202 42 14.11227535115
172 3 4 1 202 42 14.11227535115
173 4 3 1 202 42 14.11227535115
174 1 3 5 208 43 1.349624071909
175 3 1 5 208 43 1.349624071909
176 1 5 3 208 43 1.349624071909
177 5 1 3 208 43 1.349624071909
178 3 5 1 208 43 1.349624071909
179 5 3 1 208 43 1.349624071909
180 1 3 6 214 44 -0.7238330655984
181 3 1 6 214 44 -0.7238330655984
182 1 6 3 214 44 -0.7238330655984
183 6 1 3 214 44 -0.7238330655984
184 3 6 1 214 44 -0.7238330655984
185 6 3 1 214 44 -0.7238330655984
186 1 3 7 220 45 2.136018506613
187 3 1 7 220 45 2.136018506613
188 1 7 3 220 45 2.136018506613
189 7 1 3 220 45 2.136018506613
190 3 7 1 220 45 2.136018506613
191 7 3 1 220 45 2.136018506613
192 1 4 4 226 46 4.924855030296
193 4 1 4 226 46 4.924855030296
194 4 4 1 226 46 4.924855030296
195 1 4 6 235 48 1.79133027103
196 4 1 6 235 48 1.79133027103
197 1 6 4 235 48 1.79133027103
198 6 1 4 235 48 1.79133027103
199 4 6 1 235 48 1.79133027103
200 6 4 1 235 48 1.79133027103
201 1 4 7 241 49 -0.01791078801475
202 4 1 7 241 49 -0.01791078801475
203 1 7 4 241 49 -0.01791078801475
204 7 1 4 241 49 -0.01791078801475
205 4 7 1 241 49 -0.01791078801475
206 7 4 1 241 49 -0.01791078801475
207 1 5 6 250 51 5.454649835
208 5 1 6 250 51 5.454649835
209 1 6 5 250 51 5.454649835
210 6 1 5 250 51 5.454649835
211 5 6 1 250 51 5.454649835
212 6 5 1 250 51 5.454649835
213 1 5 7 256 52 4.294279431392
214 5 1 7 256 52 4.294279431392
215 1 7 5 256 52 4.294279431392
216 7 1 5 256 52 4.294279431392
217 5 7 1 256 52 4.294279431392
218 7 5 1 256 52 4.294279431392
219 1 6 6 262 53 8.903114270332
220 6 1 6 262 53 8.903114270332
221 6 6 1 262 53 8.903114270332
222 1 6 7 265 54 3.175835993802
223 6 1 7 265 54 3.175835993802
224 1 7 6 265 54 3.175835993802
225 7 1 6 265 54 3.175835993802
226 6 7 1 265 54 3.175835993802
227 7 6 1 265 54 3.175835993802
228 1 7 7 271 55 6.505114614994
229 7 1 7 271 55 6.505114614994
230 7 7 1 271 55 6.505114614994
231 2 2 2 274 56 -7.666128858921
232 2 2 3 275 57 2.764292593954
233 2 3 2 275 57 2.764292593954
234 3 2 2 275 57 2.764292593954
235 2 2 4 278 58 -10.40803721758
236 2 4 2 278 58 -10.40803721758
237 4 2 2 278 58 -10.40803721758
238 2 2 6 284 60 -5.574756669583
239 2 6 2 284 60 -5.574756669583
240 6 2 2 284 60 -5.574756669583
241 2 2 7 287 61 -7.369475686209
242 2 7 2 287 61 -7.369475686209
243 7 2 2 287 61 -7.369475686209
244 2 3 4 293 63 2.476282111463
245 3 2 4 293 63 2.476282111463
246 2 4 3 293 63 2.476282111463
247 4 2 3 293 63 2.476282111463
248 3 4 2 293 63 2.476282111463
249 4 3 2 293 63 2.476282111463
250 2 3 5 299 64 -0.6700551216241
251 3 2 5 299 64 -0.6700551216241
252 2 5 3 299 64 -0.6700551216241
253 5 2 3 299 64 -0.6700551216241
254 3 5 2 299 64 -0.6700551216241
255 5 3 2 299 64 -0.6700551216241
256 2 3 6 305 65 0.7808923134823
257 3 2 6 305 65 0.7808923134823
258 2 6 3 305 65 0.7808923134823
259 6 2 3 305 65 0.7808923134823
260 3 6 2 305 65 0.7808923134823
261 6 3 2 305 65 0.7808923134823
262 2 4 4 317 67 -4.357902785923
263 4 2 4 317 67 -4.357902785923
264 4 4 2 317 67 -4.357902785923
265 2 4 5 320 68 4.444112967149
266 4 2 5 320 68 4.444112967149
267 2 5 4 320 68 4.444112967149
268 5 2 4 320 68 4.444112967149
269 4 5 2 320 68 4.444112967149
270 5 4 2 320 68 4.444112967149
271 2 4 6 326 69 0.4557055010626
272 4 2 6 326 69 0.4557055010626
273 2 6 4 326 69 0.4557055010626
274 6 2 4 326 69 0.4557055010626
275 4 6 2 326 69 0.4557055010626
276 6 4 2 326 69 0.4557055010626
277 2 4 7 332 70 -8.856093830374
278 4 2 7 332 70 -8.856093830374
279 2 7 4 332 70 -8.856093830374
280 7 2 4 332 70 -8.856093830374
281 4 7 2 332 70 -8.856093830374
282 7 4 2 332 70 -8.856093830374
283 2 5 6 341 72 0.9836603222206
284 5 2 6 341 72 0.9836603222206
285 2 6 5 341 72 0.9836603222206
286 6 2 5 341 72 0.9836603222206
287 5 6 2 341 72 0.9836603222206
288 6 5 2 341 72 0.9836603222206
289 2 5 7 347 73 0.9402110047442
290 5 2 7 347 73 0.9402110047442
291 2 7 5 347 73 0.9402110047442
292 7 2 5 347 73 0.9402110047442
293 5 7 2 347 73 0.9402110047442
294 7 5 2 347 73 0.9402110047442
295 2 6 6 353 74 2.332904247898
296 6 2 6 353 74 2.332904247898
297 6 6 2 353 74 2.332904247898
298 2 6 7 356 75 -3.368019706742
299 6 2 7 356 75 -3.368019706742
300 2 7 6 356 75 -3.368019706742
301 7 2 6 356 75 -3.368019706742
302 6 7 2 356 75 -3.368019706742
303 7 6 2 356 75 -3.368019706742
304 2 7 7 362 76 2.681973791296
305 7 2 7 362 76 2.681973791296
306 7 7 2 362 76 2.681973791296
307 3 3 3 365 77 17.65926738312
308 3 3 4 366 78 9.777216586082
309 3 4 3 366 78 9.777216586082
310 4 3 3 366 78 9.777216586082
311 3 3 5 369 79 -2.355475559444
312 3 5 3 369 79 -2.355475559444
313 5 3 3 369 79 -2.355475559444
314 3 3 6 372 80 -6.010706319764
315 3 6 3 372 80 -6.010706319764
316 6 3 3 372 80 -6.010706319764
317 3 3 7 375 81 -3.818250525935
318 3 7 3 375 81 -3.818250525935
319 7 3 3 375 81 -3.818250525935
320 3 4 5 381 83 -5.811968732141
321 4 3 5 381 83 -5.811968732141
322 3 5 4 381 83 -5.811968732141
323 5 3 4 381 83 -5.811968732141
324 4 5 3 381 83 -5.811968732141
325 5 4 3 381 83 -5.811968732141
326 3 4 6 387 84 -0.5701586691002
327 4 3 6 387 84 -0.5701586691002
328 3 6 4 387 84 -0.5701586691002
329 6 3 4 387 84 -0.5701586691002
330 4 6 3 387 84 -0.5701586691002
331 6 4 3 387 84 -0.5701586691002
332 3 4 7 393 85 -1.100436833034
333 4 3 7 393 85 -1.100436833034
334 3 7 4 393 85 -1.100436833034
335 7 3 4 393 85 -1.100436833034
336 4 7 3 393 85 -1.100436833034
337 7 4 3 393 85 -1.100436833034
338 3 5 5 399 86 -10.00695428574
339 5 3 5 399 86 -10.00695428574
340 5 5 3 399 86 -10.00695428574
341 3 5 6 402 87 -0.01506722937171
342 5 3 6 402 87 -0.01506722937171
343 3 6 5 402 87 -0.01506722937171
344 6 3 5 402 87 -0.01506722937171
345 5 6 3 402 87 -0.01506722937171
346 6 5 3 402 87 -0.01506722937171
347 3 5 7 408 88 -1.373412380224
348 5 3 7 408 88 -1.373412380224
349 3 7 5 408 88 -1.373412380224
350 7 3 5 408 88 -1.373412380224
351 5 7 3 408 88 -1.373412380224
352 7 5 3 408 88 -1.373412380224
353 3 6 6 414 89 6.282882792132
354 6 3 6 414 89 6.282882792132
355 6 6 3 414 89 6.282882792132
356 3 6 7 417 90 1.870060450334
357 6 3 7 417 90 1.870060450334
358 3 7 6 417 90 1.870060450334
359 7 3 6 417 90 1.870060450334
360 6 7 3 417 90 1.870060450334
361 7 6 3 417 90 1.870060450334
362 3 7 7 423 91 3.320500758763
363 7 3 7 423 91 3.320500758763
364 7 7 3 423 91 3.320500758763
365 4 4 4 426 92 -3.082414196374
366 4 4 5 427 93 2.584653264593
367 4 5 4 427 93 2.584653264593
368 5 4 4 427 93 2.584653264593
369 4 4 6 430 94 -0.4333520918582
370 4 6 4 430 94 -0.4333520918582
371 6 4 4 430 94 -0.4333520918582
372 4 4 7 433 95 -8.237136449926
373 4 7 4 433 95 -8.237136449926
374 7 4 4 433 95 -8.237136449926
375 4 5 5 436 96 -9.493713950906
376 5 4 5 436 96 -9.493713950906
377 5 5 4 436 96 -9.493713950906
378 4 5 6 439 97 2.264584651644
379 5 4 6 439 97 2.264584651644
380 4 6 5 439 97 2.264584651644
381 6 4 5 439 97 2.264584651644
382 5 6 4 439 97 2.264584651644
383 6 5 4 439 97 2.264584651644
384 4 5 7 445 98 -0.9895480085202
385 5 4 7 445 98 -0.9895480085202
386 4 7 5 445 98 -0.9895480085202
387 7 4 5 445 98 -0.9895480085202
388 5 7 4 445 98 -0.9895480085202
389 7 5 4 445 98 -0.9895480085202
390 4 6 7 454 100 -1.808492715692
391 6 4 7 454 100 -1.808492715692
392 4 7 6 454 100 -1.808492715692
393 7 4 6 454 100 -1.808492715692
394 6 7 4 454 100 -1.808492715692
395 7 6 4 454 100 -1.808492715692
396 4 7 7 460 101 1.714694385873
397 7 4 7 460 101 1.714694385873
398 7 7 4 460 101 1.714694385873
399 5 5 5 463 102 -9.059238230698
400 5 5 6 464 103 2.174250906693
401 5 6 5 464 103 2.174250906693
402 6 5 5 464 103 2.174250906693
403 5 6 6 470 105 5.391324138362
404 6 5 6 470 105 5.391324138362
405 6 6 5 470 105 5.391324138362
406 5 6 7 473 106 2.778614051647
407 6 5 7 473 106 2.778614051647
408 5 7 6 473 106 2.778614051647
409 7 5 6 473 106 2.778614051647
410 6 7 5 473 106 2.778614051647
411 7 6 5 473 106 2.778614051647
412 5 7 7 479 107 2.316808445408
413 7 5 7 479 107 2.316808445408
414 7 7 5 479 107 2.316808445408
415 6 6 6 482 108 0.3309413287764
416 6 6 7 483 109 1.075234880618
417 6 7 6 483 109 1.075234880618
418 7 6 6 483 109 1.075234880618
419 6 7 7 486 110 2.130696600507
420 7 6 7 486 110 2.130696600507
421 7 7 6 486 110 2.130696600507
422 7 7 7 489 111 1.726214476271

TRIPLETTYPE PARAMS:
   INDEX: 1 ATOMS: C C N
PAIRS: CC CN CN UNIQUE: -1 TOTAL: 433
     index  |  powers  |  equiv index  |  param index  |       parameter       
   ----------------------------------------------------------------------------
0 0 1 1 0 0 30.37185085806
1 0 1 3 3 2 -1.817798809255
2 0 3 1 3 2 -1.817798809255
3 0 1 4 5 3 14.46325247754
4 0 4 1 5 3 14.46325247754
5 0 1 5 7 4 7.687688337064
6 0 5 1 7 4 7.687688337064
7 0 1 6 9 5 8.178218556836
8 0 6 1 9 5 8.178218556836
9 0 1 7 11 6 -1.084459976351
10 0 7 1 11 6 -1.084459976351
11 0 2 2 13 7 -57.73149130629
12 0 2 3 14 8 -24.66551693906
13 0 3 2 14 8 -24.66551693906
14 0 2 4 16 9 -45.08978032921
15 0 4 2 16 9 -45.08978032921
16 0 2 5 18 10 -6.550702629822
17 0 5 2 18 10 -6.550702629822
18 0 2 6 20 11 -16.06540893858
19 0 6 2 20 11 -16.06540893858
20 0 2 7 22 12 0.4212407730846
21 0 7 2 22 12 0.4212407730846
22 0 3 3 24 13 -25.98516421114
23 0 3 4 25 14 -5.663823959139
24 0 4 3 25 14 -5.663823959139
25 0 3 5 27 15 4.778252988171
26 0 5 3 27 15 4.778252988171
27 0 3 7 31 17 1.234750857933
28 0 7 3 31 17 1.234750857933
29 0 4 4 33 18 -22.65391174299
30 0 4 5 34 19 5.939951952207
31 0 5 4 34 19 5.939951952207
32 0 4 6 36 20 -7.200602394674
33 0 6 4 36 20 -7.200602394674
34 0 4 7 38 21 3.044562039281
35 0 7 4 38 21 3.044562039281
36 0 5 5 40 22 9.677050364126
37 0 5 6 41 23 0.01558200423462
38 0 6 5 41 23 0.01558200423462
39 0 5 7 43 24 0.8800366405212
40 0 7 5 43 24 0.8800366405212
41 0 6 6 45 25 -3.427333107474
42 0 6 7 46 26 -0.9121122028856
43 0 7 6 46 26 -0.9121122028856
44 0 7 7 48 27 1.068616597332
45 1 0 1 49 28 17.34720450641
46 1 1 0 49 28 17.34720450641
47 1 0 2 51 29 -0.6742072022835
48 1 2 0 51 29 -0.6742072022835
49 1 0 3 53 30 -17.29896614531
50 1 3 0 53 30 -17.29896614531
51 1 0 4 55 31 1.597345611218
52 1 4 0 55 31 1.597345611218
53 1 0 6 59 33 -7.632968075415
54 1 6 0 59 33 -7.632968075415
55 1 0 7 61 34 -15.03350054416
56 1 7 0 61 34 -15.03350054416
57 1 1 1 63 35 -64.60111264495
58 1 1 2 64 36 0.7636034500298
59 1 2 1 64 36 0.7636034500298
60 1 1 4 68 38 25.35730745859
61 1 4 1 68 38 25.35730745859
62 1 1 5 70 39 4.204428032421
63 1 5 1 70 39 4.204428032421
64 1 1 6 72 40 -17.88501445446
65 1 6 1 72 40 -17.88501445446
66 1 1 7 74 41 -3.71531126918
67 1 7 1 74 41 -3.71531126918
68 1 2 2 76 42 24.24064874225
69 1 2 3 77 43 -38.81262747898
70 1 3 2 77 43 -38.81262747898
71 1 2 4 79 44 26.71978430623
72 1 4 2 79 44 26.71978430623
73 1 2 6 83 46 2.512074202868
74 1 6 2 83 46 2.512074202868
75 1 2 7 85 47 -20.19870420298
76 1 7 2 85 47 -20.19870420298
77 1 3 3 87 48 24.92330560532
78 1 3 5 90 50 7.127564521808
79 1 5 3 90 50 7.127564521808
80 1 3 6 92 51 -6.484460922084
81 1 6 3 92 51 -6.484460922084
82 1 3 7 94 52 -1.150558301527
83 1 7 3 94 52 -1.150558301527
84 1 4 5 97 54 10.92551901683
85 1 5 4 97 54 10.92551901683
86 1 4 6 99 55 2.734193794963
87 1 6 4 99 55 2.734193794963
88 1 4 7 101 56 -4.690193990408
89 1 7 4 101 56 -4.690193990408
90 1 5 6 104 58 8.188873196073
91 1 6 5 104 58 8.188873196073
92 1 5 7 106 59 -1.223374232205
93 1 7 5 106 59 -1.223374232205
94 1 6 6 108 60 4.111447408702
95 1 6 7 109 61 1.833745743069
96 1 7 6 109 61 1.833745743069
97 1 7 7 111 62 -4.295721727977
98 2 0 1 112 63 -12.21371223359
99 2 1 0 112 63 -12.21371223359
100 2 0 2 114 64 -24.24288326835
101 2 2 0 114 64 -24.24288326835
102 2 0 3 116 65 -17.04049923445
103 2 3 0 116 65 -17.04049923445
104 2 0 4 118 66 -21.60113186946
105 2 4 0 118 66 -21.60113186946
106 2 0 5 120 67 -5.525366713802
107 2 5 0 120 67 -5.525366713802
108 2 0 6 122 68 -5.542486447022
109 2 6 0 122 68 -5.542486447022
110 2 0 7 124 69 1.572344884426
111 2 7 0 124 69 1.572344884426
112 2 1 1 126 70 46.25042145099
113 2 1 2 127 71 -52.90280457685
114 2 2 1 127 71 -52.90280457685
115 2 1 3 129 72 -24.27237899709
116 2 3 1 129 72 -24.27237899709
117 2 1 7 137 76 -5.878622381099
118 2 7 1 137 76 -5.878622381099
119 2 2 2 139 77 -136.0344791422
120 2 2 3 140 78 -69.74212658738
121 2 3 2 140 78 -69.74212658738
122 2 2 4 142 79 -102.8616810025
123 2 4 2 142 79 -102.8616810025
124 2 2 5 144 80 -18.35270801346
125 2 5 2 144 80 -18.35270801346
126 2 2 6 146 81 -29.92159816146
127 2 6 2 146 81 -29.92159816146
128 2 2 7 148 82 3.46672665588
129 2 7 2 148 82 3.46672665588
130 2 3 3 150 83 -52.63611056786
131 2 3 4 151 84 -18.96190889547
132 2 4 3 151 84 -18.96190889547
133 2 3 6 155 86 -7.167181612451
134 2 6 3 155 86 -7.167181612451
135 2 4 4 159 88 -51.95348493412
136 2 4 5 160 89 7.088696365459
137 2 5 4 160 89 7.088696365459
138 2 4 6 162 90 -13.25502830741
139 2 6 4 162 90 -13.25502830741
140 2 4 7 164 91 6.59190761337
141 2 7 4 164 91 6.59190761337
142 2 5 5 166 92 9.031254478348
143 2 5 6 167 93 -3.429146786668
144 2 6 5 167 93 -3.429146786668
145 2 6 6 171 95 -4.913473516385
146 2 6 7 172 96 -2.106302120197
147 2 7 6 172 96 -2.106302120197
148 2 7 7 174 97 2.03697415642
149 3 0 2 177 99 -7.484465352672
150 3 2 0 177 99 -7.484465352672
151 3 0 3 179 100 -20.92854544823
152 3 3 0 179 100 -20.92854544823
153 3 0 4 181 101 -8.143787233863
154 3 4 0 181 101 -8.143787233863
155 3 0 5 183 102 -1.175328024497
156 3 5 0 183 102 -1.175328024497
157 3 0 6 185 103 -7.425658911164
158 3 6 0 185 103 -7.425658911164
159 3 0 7 187 104 -9.310154858941
160 3 7 0 187 104 -9.310154858941
161 3 1 2 190 106 -11.24380051493
162 3 2 1 190 106 -11.24380051493
163 3 1 3 192 107 26.66224944943
164 3 3 1 192 107 26.66224944943
165 3 1 6 198 110 -20.57226849499
166 3 6 1 198 110 -20.57226849499
167 3 1 7 200 111 3.293517174014
168 3 7 1 200 111 3.293517174014
169 3 2 2 202 112 -1.040993109521
170 3 2 3 203 113 -33.07537423236
171 3 3 2 203 113 -33.07537423236
172 3 2 5 207 115 2.741435546853
173 3 5 2 207 115 2.741435546853
174 3 2 6 209 116 -1.923915253825
175 3 6 2 209 116 -1.923915253825
176 3 2 7 211 117 -11.25434208294
177 3 7 2 211 117 -11.25434208294
178 3 3 3 213 118 33.30614707519
179 3 3 4 214 119 -12.22759629702
180 3 4 3 214 119 -12.22759629702
181 3 3 5 216 120 0.4764192218971
182 3 5 3 216 120 0.4764192218971
183 3 3 6 218 121 -9.346147555454
184 3 6 3 218 121 -9.346147555454
185 3 3 7 220 122 3.427853070123
186 3 7 3 220 122 3.427853070123
187 3 4 4 222 123 -10.99106348843
188 3 4 5 223 124 6.400383050949
189 3 5 4 223 124 6.400383050949
190 3 4 7 227 126 -2.909213967953
191 3 7 4 227 126 -2.909213967953
192 3 5 5 229 127 -7.127010054035
193 3 5 6 230 128 5.563306955464
194 3 6 5 230 128 5.563306955464
195 3 5 7 232 129 -0.3930474268317
196 3 7 5 232 129 -0.3930474268317
197 3 6 6 234 130 1.896707225139
198 3 6 7 235 131 1.286387408092
199 3 7 6 235 131 1.286387408092
200 3 7 7 237 132 -2.155490453791
201 4 0 1 238 133 12.00349973191
202 4 1 0 238 133 12.00349973191
203 4 0 2 240 134 -24.66984335256
204 4 2 0 240 134 -24.66984335256
205 4 0 3 242 135 -1.356046465979
206 4 3 0 242 135 -1.356046465979
207 4 0 4 244 136 -12.10486738289
208 4 4 0 244 136 -12.10486738289
209 4 0 5 246 137 3.343248503922
210 4 5 0 246 137 3.343248503922
211 4 0 6 248 138 -1.193359831357
212 4 6 0 248 138 -1.193359831357
213 4 0 7 250 139 2.351244241956
214 4 7 0 250 139 2.351244241956
215 4 1 1 252 140 10.08021772484
216 4 1 3 255 142 -17.91148618007
217 4 3 1 255 142 -17.91148618007
218 4 1 4 257 143 3.7827436182
219 4 4 1 257 143 3.7827436182
220 4 1 7 263 146 -3.560902502067
221 4 7 1 263 146 -3.560902502067
222 4 2 2 265 147 -101.6591062875
223 4 2 3 266 148 -20.89600656602
224 4 3 2 266 148 -20.89600656602
225 4 2 4 268 149 -56.49159479981
226 4 4 2 268 149 -56.49159479981
227 4 2 5 270 150 2.659890239815
228 4 5 2 270 150 2.659890239815
229 4 2 6 272 151 -12.74786322393
230 4 6 2 272 151 -12.74786322393
231 4 2 7 274 152 4.881001967834
232 4 7 2 274 152 4.881001967834
233 4 3 3 276 153 -27.25405602059
234 4 3 4 277 154 -6.478665330405
235 4 4 3 277 154 -6.478665330405
236 4 3 5 279 155 1.602878346898
237 4 5 3 279 155 1.602878346898
238 4 3 6 281 156 -2.988613616345
239 4 6 3 281 156 -2.988613616345
240 4 3 7 283 157 0.6513731019246
241 4 7 3 283 157 0.6513731019246
242 4 4 4 285 158 -19.53329689226
243 4 4 5 286 159 6.752408735442
244 4 5 4 286 159 6.752408735442
245 4 4 6 288 160 -3.440832610766
246 4 6 4 288 160 -3.440832610766
247 4 4 7 290 161 3.961501723029
248 4 7 4 290 161 3.961501723029
249 4 5 5 292 162 6.061963468847
250 4 5 6 293 163 -0.6808271844082
251 4 6 5 293 163 -0.6808271844082
252 4 5 7 295 164 0.8260363393579
253 4 7 5 295 164 0.8260363393579
254 4 6 6 297 165 -1.560183023295
255 4 6 7 298 166 -0.5053751974196
256 4 7 6 298 166 -0.5053751974196
257 4 7 7 300 167 1.788813813714
258 5 0 1 301 168 23.65254958098
259 5 1 0 301 168 23.65254958098
260 5 0 2 303 169 -1.858156466848
261 5 2 0 303 169 -1.858156466848
262 5 0 3 305 170 5.716960979918
263 5 3 0 305 170 5.716960979918
264 5 0 4 307 171 -0.5668789526107
265 5 4 0 307 171 -0.5668789526107
266 5 0 5 309 172 11.09617651067
267 5 5 0 309 172 11.09617651067
268 5 0 6 311 173 -0.2066088780419
269 5 6 0 311 173 -0.2066088780419
270 5 0 7 313 174 -1.116362304446
271 5 7 0 313 174 -1.116362304446
272 5 1 1 315 175 8.331952268165
273 5 1 2 316 176 29.38529306078
274 5 2 1 316 176 29.38529306078
275 5 1 3 318 177 5.456303481838
276 5 3 1 318 177 5.456303481838
277 5 1 4 320 178 9.708171075779
278 5 4 1 320 178 9.708171075779
279 5 1 5 322 179 -8.926476859206
280 5 5 1 322 179 -8.926476859206
281 5 1 6 324 180 -1.982581098977
282 5 6 1 324 180 -1.982581098977
283 5 1 7 326 181 6.523946623489
284 5 7 1 326 181 6.523946623489
285 5 2 2 328 182 -0.155785616225
286 5 2 3 329 183 5.348373060457
287 5 3 2 329 183 5.348373060457
288 5 2 4 331 184 2.934990200645
289 5 4 2 331 184 2.934990200645
290 5 2 5 333 185 18.50169953862
291 5 5 2 333 185 18.50169953862
292 5 2 6 335 186 3.970111426117
293 5 6 2 335 186 3.970111426117
294 5 3 5 342 190 -9.195533448794
295 5 5 3 342 190 -9.195533448794
296 5 3 6 344 191 1.873165049962
297 5 6 3 344 191 1.873165049962
298 5 3 7 346 192 4.581864075384
299 5 7 3 346 192 4.581864075384
300 5 4 4 348 193 -0.1185814059709
301 5 4 5 349 194 11.99061494142
302 5 5 4 349 194 11.99061494142
303 5 4 6 351 195 4.16844623058
304 5 6 4 351 195 4.16844623058
305 5 4 7 353 196 1.534547123394
306 5 7 4 353 196 1.534547123394
307 5 5 5 355 197 -7.529541201432
308 5 5 6 356 198 8.034440518241
309 5 6 5 356 198 8.034440518241
310 5 5 7 358 199 1.306545117679
311 5 7 5 358 199 1.306545117679
312 5 6 6 360 200 2.791074167173
313 5 6 7 361 201 1.985071016808
314 5 7 6 361 201 1.985071016808
315 5 7 7 363 202 0.1071353629458
316 6 0 1 364 203 0.01477165682629
317 6 1 0 364 203 0.01477165682629
318 6 0 2 366 204 -11.33622727119
319 6 2 0 366 204 -11.33622727119
320 6 0 3 368 205 -2.471797982687
321 6 3 0 368 205 -2.471797982687
322 6 0 4 370 206 -3.40356689129
323 6 4 0 370 206 -3.40356689129
324 6 0 5 372 207 2.011441277205
325 6 5 0 372 207 2.011441277205
326 6 0 7 376 209 1.370268597925
327 6 7 0 376 209 1.370268597925
328 6 1 1 378 210 -29.01237803778
329 6 1 2 379 211 -4.577121852352
330 6 2 1 379 211 -4.577121852352
331 6 1 3 381 212 -23.06774570316
332 6 3 1 381 212 -23.06774570316
333 6 1 4 383 213 3.21140067573
334 6 4 1 383 213 3.21140067573
335 6 1 6 387 215 4.311988607809
336 6 6 1 387 215 4.311988607809
337 6 1 7 389 216 1.261982804432
338 6 7 1 389 216 1.261982804432
339 6 2 2 391 217 -40.71731127267
340 6 2 3 392 218 -8.738842564272
341 6 3 2 392 218 -8.738842564272
342 6 2 4 394 219 -18.18455212026
343 6 4 2 394 219 -18.18455212026
344 6 2 5 396 220 3.223716089432
345 6 5 2 396 220 3.223716089432
346 6 2 6 398 221 -3.636957701221
347 6 6 2 398 221 -3.636957701221
348 6 2 7 400 222 2.664053076343
349 6 7 2 400 222 2.664053076343
350 6 3 3 402 223 -16.60273295363
351 6 3 5 405 225 2.974004216251
352 6 5 3 405 225 2.974004216251
353 6 3 6 407 226 1.80868728595
354 6 6 3 407 226 1.80868728595
355 6 3 7 409 227 3.20996366346
356 6 7 3 409 227 3.20996366346
357 6 4 4 411 228 -4.990047629943
358 6 4 5 412 229 4.592408340112
359 6 5 4 412 229 4.592408340112
360 6 4 6 414 230 -0.5303932746402
361 6 6 4 414 230 -0.5303932746402
362 6 4 7 416 231 2.353975079464
363 6 7 4 416 231 2.353975079464
364 6 5 5 418 232 6.324934567894
365 6 5 6 419 233 1.41559358914
366 6 6 5 419 233 1.41559358914
367 6 5 7 421 234 2.921015357347
368 6 7 5 421 234 2.921015357347
369 6 6 6 423 235 -0.2625569352357
370 6 6 7 424 236 0.3460321848665
371 6 7 6 424 236 0.3460321848665
372 6 7 7 426 237 1.9937013485
373 7 0 1 427 238 -4.205337449113
374 7 1 0 427 238 -4.205337449113
375 7 0 2 429 239 -1.712719159545
376 7 2 0 429 239 -1.712719159545
377 7 0 3 431 240 -5.977152434309
378 7 3 0 431 240 -5.977152434309
379 7 0 4 433 241 -0.8237378546468
380 7 4 0 433 241 -0.8237378546468
381 7 0 5 435 242 0.44156938238
382 7 5 0 435 242 0.44156938238
383 7 0 6 437 243 1.118551372542
384 7 6 0 437 243 1.118551372542
385 7 0 7 439 244 -0.4457077554796
386 7 7 0 439 244 -0.4457077554796
387 7 1 1 441 245 -0.1800654895879
388 7 1 2 442 246 -7.552662566385
389 7 2 1 442 246 -7.552662566385
390 7 1 3 444 247 -0.1228546965711
391 7 3 1 444 247 -0.1228546965711
392 7 1 4 446 248 -9.241824652165
393 7 4 1 446 248 -9.241824652165
394 7 1 5 448 249 -0.6486673404523
395 7 5 1 448 249 -0.6486673404523
396 7 1 6 450 250 -2.797636735319
397 7 6 1 450 250 -2.797636735319
398 7 1 7 452 251 4.756465943045
399 7 7 1 452 251 4.756465943045
400 7 2 2 454 252 -4.213145930906
401 7 2 3 455 253 -9.147092963273
402 7 3 2 455 253 -9.147092963273
403 7 2 4 457 254 -1.156989343976
404 7 4 2 457 254 -1.156989343976
405 7 2 5 459 255 1.95932576192
406 7 5 2 459 255 1.95932576192
407 7 2 6 461 256 2.918843240224
408 7 6 2 461 256 2.918843240224
409 7 3 3 465 258 -0.9608610455649
410 7 3 4 466 259 -7.825301749954
411 7 4 3 466 259 -7.825301749954
412 7 3 5 468 260 -0.5630065928071
413 7 5 3 468 260 -0.5630065928071
414 7 3 6 470 261 -0.7188258600063
415 7 6 3 470 261 -0.7188258600063
416 7 3 7 472 262 3.263818475699
417 7 7 3 472 262 3.263818475699
418 7 4 4 474 263 0.9157176967279
419 7 4 5 475 264 0.9589175769118
420 7 5 4 475 264 0.9589175769118
421 7 4 6 477 265 3.097336133278
422 7 6 4 477 265 3.097336133278
423 7 4 7 479 266 0.1847545148248
424 7 7 4 479 266 0.1847545148248
425 7 5 6 482 268 1.820034366029
426 7 6 5 482 268 1.820034366029
427 7 5 7 484 269 1.268343364254
428 7 7 5 484 269 1.268343364254
429 7 6 6 486 270 1.773853885849
430 7 6 7 487 271 0.3304827205778
431 7 7 6 487 271 0.3304827205778
432 7 7 7 489 272 0.08457059733774

TRIPLETTYPE PARAMS:
   INDEX: 2 ATOMS: C C O
PAIRS: CC CO CO UNIQUE: -1 TOTAL: 418
     index  |  powers  |  equiv index  |  param index  |       parameter       
   ----------------------------------------------------------------------------
0 0 1 1 0 0 3.662866498329
1 0 1 2 1 1 -34.73559766302
2 0 2 1 1 1 -34.73559766302
3 0 1 3 3 2 -11.27105224735
4 0 3 1 3 2 -11.27105224735
5 0 1 4 5 3 -26.73920349101
6 0 4 1 5 3 -26.73920349101
7 0 1 5 7 4 -0.002638687556425
8 0 5 1 7 4 -0.002638687556425
9 0 1 6 9 5 4.958111085612
10 0 6 1 9 5 4.958111085612
11 0 1 7 11 6 1.053421870841
12 0 7 1 11 6 1.053421870841
13 0 2 2 13 7 -32.45662844173
14 0 2 3 14 8 -31.15510507322
15 0 3 2 14 8 -31.15510507322
16 0 2 4 16 9 -25.09488923201
17 0 4 2 16 9 -25.09488923201
18 0 2 5 18 10 -12.51969709261
19 0 5 2 18 10 -12.51969709261
20 0 2 6 20 11 -12.65828117255
21 0 6 2 20 11 -12.65828117255
22 0 2 7 22 12 -2.082703023296
23 0 7 2 22 12 -2.082703023296
24 0 3 3 24 13 -14.89480189564
25 0 3 4 25 14 -19.20121333704
26 0 4 3 25 14 -19.20121333704
27 0 3 6 29 16 1.411436874112
28 0 6 3 29 16 1.411436874112
29 0 4 4 33 18 -18.33822372193
30 0 4 5 34 19 -6.474238098099
31 0 5 4 34 19 -6.474238098099
32 0 4 6 36 20 -14.09538391294
33 0 6 4 36 20 -14.09538391294
34 0 4 7 38 21 -2.33771012617
35 0 7 4 38 21 -2.33771012617
36 0 5 5 40 22 -3.94121501126
37 0 5 6 41 23 -0.787898387494
38 0 6 5 41 23 -0.787898387494
39 0 5 7 43 24 -1.454190163917
40 0 7 5 43 24 -1.454190163917
41 0 6 6 45 25 -9.819095415737
42 0 6 7 46 26 -0.01472920278766
43 0 7 6 46 26 -0.01472920278766
44 0 7 7 48 27 -1.258597668667
45 1 0 1 49 28 28.61712049231
46 1 1 0 49 28 28.61712049231
47 1 0 2 51 29 1.035241484731
48 1 2 0 51 29 1.035241484731
49 1 0 3 53 30 9.155179608605
50 1 3 0 53 30 9.155179608605
51 1 0 4 55 31 -7.037753754903
52 1 4 0 55 31 -7.037753754903
53 1 0 5 57 32 2.101075906683
54 1 5 0 57 32 2.101075906683
55 1 0 6 59 33 -7.021051235459
56 1 6 0 59 33 -7.021051235459
57 1 0 7 61 34 1.19578133021
58 1 7 0 61 34 1.19578133021
59 1 1 1 63 35 -30.14484146512
60 1 1 2 64 36 5.490553407982
61 1 2 1 64 36 5.490553407982
62 1 1 3 66 37 -12.38924884773
63 1 3 1 66 37 -12.38924884773
64 1 1 6 72 40 -6.882432702686
65 1 6 1 72 40 -6.882432702686
66 1 1 7 74 41 3.213120712202
67 1 7 1 74 41 3.213120712202
68 1 2 2 76 42 3.201619076207
69 1 2 3 77 43 -14.65375574711
70 1 3 2 77 43 -14.65375574711
71 1 2 4 79 44 -3.149401638616
72 1 4 2 79 44 -3.149401638616
73 1 2 5 81 45 -1.374204660339
74 1 5 2 81 45 -1.374204660339
75 1 2 7 85 47 -0.7371784468162
76 1 7 2 85 47 -0.7371784468162
77 1 3 4 88 49 -5.59574595753
78 1 4 3 88 49 -5.59574595753
79 1 3 5 90 50 10.32862690541
80 1 5 3 90 50 10.32862690541
81 1 3 7 94 52 4.602869548015
82 1 7 3 94 52 4.602869548015
83 1 4 6 99 55 7.557474715733
84 1 6 4 99 55 7.557474715733
85 1 4 7 101 56 -0.1022222610536
86 1 7 4 101 56 -0.1022222610536
87 1 5 5 103 57 8.51866736194
88 1 5 6 104 58 -4.508757140867
89 1 6 5 104 58 -4.508757140867
90 1 5 7 106 59 -0.1930997060587
91 1 7 5 106 59 -0.1930997060587
92 1 6 6 108 60 1.205379204481
93 1 6 7 109 61 -2.543243994001
94 1 7 6 109 61 -2.543243994001
95 1 7 7 111 62 0.4672135984211
96 2 0 1 112 63 -87.28605983124
97 2 1 0 112 63 -87.28605983124
98 2 0 2 114 64 6.673030112838
99 2 2 0 114 64 6.673030112838
100 2 0 3 116 65 -26.93681857316
101 2 3 0 116 65 -26.93681857316
102 2 0 4 118 66 14.41950453758
103 2 4 0 118 66 14.41950453758
104 2 0 5 120 67 -9.964394328308
105 2 5 0 120 67 -9.964394328308
106 2 0 6 122 68 1.315045053521
107 2 6 0 122 68 1.315045053521
108 2 0 7 124 69 -4.213496670941
109 2 7 0 124 69 -4.213496670941
110 2 1 1 126 70 -103.004501722
111 2 1 2 127 71 -103.7965182833
112 2 2 1 127 71 -103.7965182833
113 2 1 4 131 73 -29.22166450697
114 2 4 1 131 73 -29.22166450697
115 2 1 5 133 74 9.746916149345
116 2 5 1 133 74 9.746916149345
117 2 1 6 135 75 -0.06488201726377
118 2 6 1 135 75 -0.06488201726377
119 2 2 2 139 77 -18.47878950227
120 2 2 3 140 78 -26.29369025848
121 2 3 2 140 78 -26.29369025848
122 2 2 4 142 79 0.525425163482
123 2 4 2 142 79 0.525425163482
124 2 2 5 144 80 -3.414077315792
125 2 5 2 144 80 -3.414077315792
126 2 2 6 146 81 -10.43128229008
127 2 6 2 146 81 -10.43128229008
128 2 2 7 148 82 -2.074251440073
129 2 7 2 148 82 -2.074251440073
130 2 3 3 150 83 49.37980723983
131 2 3 4 151 84 7.592869234572
132 2 4 3 151 84 7.592869234572
133 2 3 5 153 85 32.58688621003
134 2 5 3 153 85 32.58688621003
135 2 3 6 155 86 6.529256415542
136 2 6 3 155 86 6.529256415542
137 2 3 7 157 87 5.822337467638
138 2 7 3 157 87 5.822337467638
139 2 4 4 159 88 4.524810550802
140 2 4 5 160 89 8.264608963563
141 2 5 4 160 89 8.264608963563
142 2 4 6 162 90 -13.45094955261
143 2 6 4 162 90 -13.45094955261
144 2 5 5 166 92 6.440604041865
145 2 5 6 167 93 0.6495838000506
146 2 6 5 167 93 0.6495838000506
147 2 5 7 169 94 0.5987828206688
148 2 7 5 169 94 0.5987828206688
149 2 6 6 171 95 -13.0079704435
150 2 6 7 172 96 0.280809603265
151 2 7 6 172 96 0.280809603265
152 2 7 7 174 97 -0.735310690612
153 3 0 2 177 99 -4.772501737817
154 3 2 0 177 99 -4.772501737817
155 3 0 4 181 101 -9.15907175486
156 3 4 0 181 101 -9.15907175486
157 3 0 5 183 102 2.290990997001
158 3 5 0 183 102 2.290990997001
159 3 0 6 185 103 -6.012293252897
160 3 6 0 185 103 -6.012293252897
161 3 1 2 190 106 -0.9299037224205
162 3 2 1 190 106 -0.9299037224205
163 3 1 3 192 107 31.14770344129
164 3 3 1 192 107 31.14770344129
165 3 1 4 194 108 3.821460057355
166 3 4 1 194 108 3.821460057355
167 3 1 5 196 109 5.15707846007
168 3 5 1 196 109 5.15707846007
169 3 1 7 200 111 2.759472833027
170 3 7 1 200 111 2.759472833027
171 3 2 3 203 113 -0.5726454673069
172 3 3 2 203 113 -0.5726454673069
173 3 2 4 205 114 -6.448772218839
174 3 4 2 205 114 -6.448772218839
175 3 2 5 207 115 6.746557736671
176 3 5 2 207 115 6.746557736671
177 3 2 6 209 116 -0.244551408538
178 3 6 2 209 116 -0.244551408538
179 3 2 7 211 117 -0.05424573676212
180 3 7 2 211 117 -0.05424573676212
181 3 3 3 213 118 40.55978052945
182 3 3 5 216 120 12.76979610828
183 3 5 3 216 120 12.76979610828
184 3 3 6 218 121 3.054145130597
185 3 6 3 218 121 3.054145130597
186 3 3 7 220 122 4.980336783944
187 3 7 3 220 122 4.980336783944
188 3 4 4 222 123 -4.616540903041
189 3 4 5 223 124 0.5950908052486
190 3 5 4 223 124 0.5950908052486
191 3 4 6 225 125 2.86328781564
192 3 6 4 225 125 2.86328781564
193 3 4 7 227 126 -1.577048081613
194 3 7 4 227 126 -1.577048081613
195 3 5 5 229 127 -0.1610172682857
196 3 5 6 230 128 -2.87474275701
197 3 6 5 230 128 -2.87474275701
198 3 5 7 232 129 -1.587624354266
199 3 7 5 232 129 -1.587624354266
200 3 6 6 234 130 -1.208562842893
201 3 6 7 235 131 -2.218575808192
202 3 7 6 235 131 -2.218575808192
203 3 7 7 237 132 0.4265187541962
204 4 0 1 238 133 -4.830433392774
205 4 1 0 238 133 -4.830433392774
206 4 0 2 240 134 -7.634935463413
207 4 2 0 240 134 -7.634935463413
208 4 0 3 242 135 5.653286420934
209 4 3 0 242 135 5.653286420934
210 4 0 4 244 136 -1.955463054506
211 4 4 0 244 136 -1.955463054506
212 4 0 5 246 137 4.583793082192
213 4 5 0 246 137 4.583793082192
214 4 0 7 250 139 -0.5735657335086
215 4 7 0 250 139 -0.5735657335086
216 4 1 2 253 141 -1.136893033833
217 4 2 1 253 141 -1.136893033833
218 4 1 3 255 142 9.701617982982
219 4 3 1 255 142 9.701617982982
220 4 1 4 257 143 -11.96864623951
221 4 4 1 257 143 -11.96864623951
222 4 1 5 259 144 -5.926013121313
223 4 5 1 259 144 -5.926013121313
224 4 1 7 263 146 -1.208276798888
225 4 7 1 263 146 -1.208276798888
226 4 2 2 265 147 -42.70828349516
227 4 2 3 266 148 11.65851488214
228 4 3 2 266 148 11.65851488214
229 4 2 4 268 149 -21.81274850874
230 4 4 2 268 149 -21.81274850874
231 4 2 5 270 150 11.22972277905
232 4 5 2 270 150 11.22972277905
233 4 2 6 272 151 -7.400371954443
234 4 6 2 272 151 -7.400371954443
235 4 2 7 274 152 1.824222173874
236 4 7 2 274 152 1.824222173874
237 4 3 3 276 153 12.28877057385
238 4 3 6 281 156 2.426031098984
239 4 6 3 281 156 2.426031098984
240 4 3 7 283 157 1.486636585028
241 4 7 3 283 157 1.486636585028
242 4 4 4 285 158 -13.40900534472
243 4 4 5 286 159 2.552731557014
244 4 5 4 286 159 2.552731557014
245 4 4 6 288 160 -9.350344979111
246 4 6 4 288 160 -9.350344979111
247 4 4 7 290 161 0.8515379508977
248 4 7 4 290 161 0.8515379508977
249 4 5 5 292 162 -8.962256653368
250 4 5 7 295 164 -0.4281303502464
251 4 7 5 295 164 -0.4281303502464
252 4 6 6 297 165 -6.270327146822
253 4 6 7 298 166 0.48135076012
254 4 7 6 298 166 0.48135076012
255 4 7 7 300 167 0.0522361146686
256 5 0 1 301 168 21.60881673991
257 5 1 0 301 168 21.60881673991
258 5 0 2 303 169 -1.484365257964
259 5 2 0 303 169 -1.484365257964
260 5 0 3 305 170 9.022844072435
261 5 3 0 305 170 9.022844072435
262 5 0 4 307 171 -0.7380252663573
263 5 4 0 307 171 -0.7380252663573
264 5 0 5 309 172 4.873861669017
265 5 5 0 309 172 4.873861669017
266 5 0 6 311 173 0.6224278390657
267 5 6 0 311 173 0.6224278390657
268 5 0 7 313 174 -0.6840161949554
269 5 7 0 313 174 -0.6840161949554
270 5 1 1 315 175 42.05710937083
271 5 1 2 316 176 17.06522035273
272 5 2 1 316 176 17.06522035273
273 5 1 3 318 177 11.2993139571
274 5 3 1 318 177 11.2993139571
275 5 1 4 320 178 -3.709508734604
276 5 4 1 320 178 -3.709508734604
277 5 1 5 322 179 -3.746087058736
278 5 5 1 322 179 -3.746087058736
279 5 1 6 324 180 7.801731269046
280 5 6 1 324 180 7.801731269046
281 5 1 7 326 181 -0.6032139598269
282 5 7 1 326 181 -0.6032139598269
283 5 2 2 328 182 -0.960328965218
284 5 2 5 333 185 1.997039496681
285 5 5 2 333 185 1.997039496681
286 5 2 6 335 186 4.387249180888
287 5 6 2 335 186 4.387249180888
288 5 2 7 337 187 -2.644886776899
289 5 7 2 337 187 -2.644886776899
290 5 3 3 339 188 -5.097002229334
291 5 3 4 340 189 -10.00332426566
292 5 4 3 340 189 -10.00332426566
293 5 3 5 342 190 -7.063611446377
294 5 5 3 342 190 -7.063611446377
295 5 3 6 344 191 4.789088448737
296 5 6 3 344 191 4.789088448737
297 5 4 4 348 193 0.595898871805
298 5 4 5 349 194 -4.549533169909
299 5 5 4 349 194 -4.549533169909
300 5 4 6 351 195 3.354706855496
301 5 6 4 351 195 3.354706855496
302 5 4 7 353 196 -3.194367717587
303 5 7 4 353 196 -3.194367717587
304 5 5 5 355 197 -6.346129993952
305 5 5 7 358 199 -1.3286036633
306 5 7 5 358 199 -1.3286036633
307 5 6 7 361 201 -0.7841305051307
308 5 7 6 361 201 -0.7841305051307
309 5 7 7 363 202 0.8143060645347
310 6 0 1 364 203 -10.95987787479
311 6 1 0 364 203 -10.95987787479
312 6 0 2 366 204 0.6933481445361
313 6 2 0 366 204 0.6933481445361
314 6 0 4 370 206 2.492580760959
315 6 4 0 370 206 2.492580760959
316 6 0 5 372 207 -1.556794774667
317 6 5 0 372 207 -1.556794774667
318 6 0 6 374 208 -0.1910157293436
319 6 6 0 374 208 -0.1910157293436
320 6 0 7 376 209 -2.702435726795
321 6 7 0 376 209 -2.702435726795
322 6 1 1 378 210 -25.39005447176
323 6 1 2 379 211 -1.373421670377
324 6 2 1 379 211 -1.373421670377
325 6 1 4 383 213 -0.5741278116563
326 6 4 1 383 213 -0.5741278116563
327 6 1 5 385 214 -5.358940607249
328 6 5 1 385 214 -5.358940607249
329 6 1 6 387 215 -4.023069610138
330 6 6 1 387 215 -4.023069610138
331 6 2 3 392 218 11.94260805781
332 6 3 2 392 218 11.94260805781
333 6 2 4 394 219 3.211353015825
334 6 4 2 394 219 3.211353015825
335 6 2 5 396 220 5.106347188674
336 6 5 2 396 220 5.106347188674
337 6 2 6 398 221 -0.3383563636217
338 6 6 2 398 221 -0.3383563636217
339 6 2 7 400 222 -1.400775491229
340 6 7 2 400 222 -1.400775491229
341 6 3 3 402 223 13.74067785192
342 6 3 4 403 224 7.835671536209
343 6 4 3 403 224 7.835671536209
344 6 3 5 405 225 5.497067835364
345 6 5 3 405 225 5.497067835364
346 6 3 6 407 226 0.5069448777286
347 6 6 3 407 226 0.5069448777286
348 6 3 7 409 227 4.089633640965
349 6 7 3 409 227 4.089633640965
350 6 4 4 411 228 2.8199507717
351 6 4 5 412 229 4.406643685756
352 6 5 4 412 229 4.406643685756
353 6 4 6 414 230 -0.5283265628968
354 6 6 4 414 230 -0.5283265628968
355 6 4 7 416 231 0.5326572031855
356 6 7 4 416 231 0.5326572031855
357 6 5 5 418 232 2.086681837846
358 6 5 6 419 233 0.4011049755066
359 6 6 5 419 233 0.4011049755066
360 6 5 7 421 234 3.068730340678
361 6 7 5 421 234 3.068730340678
362 6 6 6 423 235 -0.5457300810416
363 6 6 7 424 236 -0.03513979617056
364 6 7 6 424 236 -0.03513979617056
365 6 7 7 426 237 1.79441349236
366 7 0 1 427 238 -0.5878902500104
367 7 1 0 427 238 -0.5878902500104
368 7 0 2 429 239 0.8094536852883
369 7 2 0 429 239 0.8094536852883
370 7 0 3 431 240 1.832847443038
371 7 3 0 431 240 1.832847443038
372 7 0 4 433 241 2.925982309136
373 7 4 0 433 241 2.925982309136
374 7 0 5 435 242 1.972620505764
375 7 5 0 435 242 1.972620505764
376 7 0 6 437 243 1.017755119904
377 7 6 0 437 243 1.017755119904
378 7 0 7 439 244 0.175052384996
379 7 7 0 439 244 0.175052384996
380 7 1 2 442 246 -2.362781940976
381 7 2 1 442 246 -2.362781940976
382 7 1 6 450 250 3.708302777878
383 7 6 1 450 250 3.708302777878
384 7 1 7 452 251 1.525868035812
385 7 7 1 452 251 1.525868035812
386 7 2 2 454 252 3.157785896754
387 7 2 3 455 253 -0.1595992694516
388 7 3 2 455 253 -0.1595992694516
389 7 2 4 457 254 3.822479547466
390 7 4 2 457 254 3.822479547466
391 7 2 6 461 256 1.870432808596
392 7 6 2 461 256 1.870432808596
393 7 2 7 463 257 -0.6690735368193
394 7 7 2 463 257 -0.6690735368193
395 7 3 3 465 258 -2.480855168807
396 7 3 4 466 259 -2.392106725487
397 7 4 3 466 259 -2.392106725487
398 7 3 5 468 260 -2.038096569632
399 7 5 3 468 260 -2.038096569632
400 7 3 6 470 261 1.380966709007
401 7 6 3 470 261 1.380966709007
402 7 3 7 472 262 1.535783108258
403 7 7 3 472 262 1.535783108258
404 7 4 4 474 263 1.066654679559
405 7 4 5 475 264 -3.327619119845
406 7 5 4 475 264 -3.327619119845
407 7 4 7 479 266 -1.571290643854
408 7 7 4 479 266 -1.571290643854
409 7 5 5 481 267 -2.251771413221
410 7 5 6 482 268 -1.555902840829
411 7 6 5 482 268 -1.555902840829
412 7 5 7 484 269 0.638254882966
413 7 7 5 484 269 0.638254882966
414 7 6 6 486 270 -0.7520933772805
415 7 6 7 487 271 -0.7384752716855
416 7 7 6 487 271 -0.7384752716855
417 7 7 7 489 272 1.208609228651

TRIPLETTYPE PARAMS:
   INDEX: 3 ATOMS: C N N
PAIRS: CN CN NN UNIQUE: -1 TOTAL: 427
     index  |  powers  |  equiv index  |  param index  |       parameter       
   ----------------------------------------------------------------------------
0 0 1 1 0 0 22.91108143871
1 1 0 1 0 0 22.91108143871
2 0 1 2 2 1 -14.95446092698
3 1 0 2 2 1 -14.95446092698
4 0 1 3 4 2 -5.87918308356
5 1 0 3 4 2 -5.87918308356
6 0 1 4 6 3 -18.33547631195
7 1 0 4 6 3 -18.33547631195
8 0 1 5 8 4 -6.845316623963
9 1 0 5 8 4 -6.845316623963
10 0 1 6 10 5 -15.83761341795
11 1 0 6 10 5 -15.83761341795
12 0 1 7 12 6 12.37326720417
13 1 0 7 12 6 12.37326720417
14 0 2 1 14 7 -33.81970597002
15 2 0 1 14 7 -33.81970597002
16 0 2 2 16 8 -34.52463997808
17 2 0 2 16 8 -34.52463997808
18 0 2 3 18 9 -19.81935652809
19 2 0 3 18 9 -19.81935652809
20 0 2 4 20 10 -10.36679373019
21 2 0 4 20 10 -10.36679373019
22 0 2 5 22 11 5.458646314223
23 2 0 5 22 11 5.458646314223
24 0 2 6 24 12 -2.946554353828
25 2 0 6 24 12 -2.946554353828
26 0 2 7 26 13 7.282202700529
27 2 0 7 26 13 7.282202700529
28 0 3 1 28 14 -11.85694157462
29 3 0 1 28 14 -11.85694157462
30 0 3 2 30 15 -14.97588381964
31 3 0 2 30 15 -14.97588381964
32 0 3 3 32 16 -9.01440845152
33 3 0 3 32 16 -9.01440845152
34 0 3 4 34 17 -2.493021230088
35 3 0 4 34 17 -2.493021230088
36 0 3 6 38 19 -7.802573578812
37 3 0 6 38 19 -7.802573578812
38 0 3 7 40 20 7.838900541605
39 3 0 7 40 20 7.838900541605
40 0 4 1 42 21 -25.32289975771
41 4 0 1 42 21 -25.32289975771
42 0 4 2 44 22 -17.11179204641
43 4 0 2 44 22 -17.11179204641
44 0 4 3 46 23 0.75138831798
45 4 0 3 46 23 0.75138831798
46 0 4 4 48 24 7.537661655896
47 4 0 4 48 24 7.537661655896
48 0 4 5 50 25 13.44677678425
49 4 0 5 50 25 13.44677678425
50 0 4 6 52 26 0.6589002403624
51 4 0 6 52 26 0.6589002403624
52 0 4 7 54 27 6.215533727445
53 4 0 7 54 27 6.215533727445
54 0 5 3 60 30 2.47600345217
55 5 0 3 60 30 2.47600345217
56 0 5 5 64 32 1.101391802878
57 5 0 5 64 32 1.101391802878
58 0 5 6 66 33 -3.711030154575
59 5 0 6 66 33 -3.711030154575
60 0 5 7 68 34 3.543315210607
61 5 0 7 68 34 3.543315210607
62 0 6 1 70 35 -23.02008372156
63 6 0 1 70 35 -23.02008372156
64 0 6 2 72 36 -7.10184461998
65 6 0 2 72 36 -7.10184461998
66 0 6 3 74 37 -7.583357495995
67 6 0 3 74 37 -7.583357495995
68 0 6 4 76 38 3.767611952425
69 6 0 4 76 38 3.767611952425
70 0 6 5 78 39 1.815372301865
71 6 0 5 78 39 1.815372301865
72 0 6 6 80 40 1.978074110893
73 6 0 6 80 40 1.978074110893
74 0 6 7 82 41 4.47321799156
75 6 0 7 82 41 4.47321799156
76 0 7 1 84 42 4.03412159282
77 7 0 1 84 42 4.03412159282
78 0 7 2 86 43 -3.200752186466
79 7 0 2 86 43 -3.200752186466
80 0 7 3 88 44 -2.172030695386
81 7 0 3 88 44 -2.172030695386
82 0 7 4 90 45 -5.723881768946
83 7 0 4 90 45 -5.723881768946
84 0 7 5 92 46 -2.397585016846
85 7 0 5 92 46 -2.397585016846
86 0 7 6 94 47 -2.896755312826
87 7 0 6 94 47 -2.896755312826
88 0 7 7 96 48 -0.9421874598157
89 7 0 7 96 48 -0.9421874598157
90 1 1 0 98 49 17.82661080614
91 1 1 1 99 50 -68.17736272124
92 1 1 3 101 52 -13.79025161997
93 1 1 4 102 53 8.190752982018
94 1 1 6 104 55 -19.84401782188
95 1 2 0 106 57 -32.79048764878
96 2 1 0 106 57 -32.79048764878
97 1 2 1 108 58 -16.59688267613
98 2 1 1 108 58 -16.59688267613
99 1 2 2 110 59 -54.61273895298
100 2 1 2 110 59 -54.61273895298
101 1 2 3 112 60 3.143620922329
102 2 1 3 112 60 3.143620922329
103 1 2 5 116 62 11.49716390847
104 2 1 5 116 62 11.49716390847
105 1 2 6 118 63 -9.843634245705
106 2 1 6 118 63 -9.843634245705
107 1 2 7 120 64 14.32053005677
108 2 1 7 120 64 14.32053005677
109 1 3 2 126 67 2.060370229349
110 3 1 2 126 67 2.060370229349
111 1 3 3 128 68 45.83126607836
112 3 1 3 128 68 45.83126607836
113 1 3 4 130 69 12.11033273037
114 3 1 4 130 69 12.11033273037
115 1 3 5 132 70 24.15826361589
116 3 1 5 132 70 24.15826361589
117 1 3 6 134 71 -9.338040087383
118 3 1 6 134 71 -9.338040087383
119 1 3 7 136 72 1.454299584221
120 3 1 7 136 72 1.454299584221
121 1 4 0 138 73 -3.653303769656
122 4 1 0 138 73 -3.653303769656
123 1 4 1 140 74 -7.824934627989
124 4 1 1 140 74 -7.824934627989
125 1 4 3 144 76 -8.249532784488
126 4 1 3 144 76 -8.249532784488
127 1 4 4 146 77 10.47274309883
128 4 1 4 146 77 10.47274309883
129 1 4 5 148 78 -2.380856143854
130 4 1 5 148 78 -2.380856143854
131 1 4 6 150 79 1.220554791016
132 4 1 6 150 79 1.220554791016
133 1 5 0 154 81 17.81188108573
134 5 1 0 154 81 17.81188108573
135 1 5 2 158 83 13.56943959263
136 5 1 2 158 83 13.56943959263
137 1 5 6 166 87 0.8241849507995
138 5 1 6 166 87 0.8241849507995
139 1 6 0 170 89 -0.0865105093432
140 6 1 0 170 89 -0.0865105093432
141 1 6 1 172 90 -10.50707766369
142 6 1 1 172 90 -10.50707766369
143 1 6 2 174 91 8.736919874935
144 6 1 2 174 91 8.736919874935
145 1 6 4 178 93 17.99828870137
146 6 1 4 178 93 17.99828870137
147 1 6 5 180 94 10.82583961161
148 6 1 5 180 94 10.82583961161
149 1 6 6 182 95 10.63179031275
150 6 1 6 182 95 10.63179031275
151 1 7 0 186 97 1.580298884292
152 7 1 0 186 97 1.580298884292
153 1 7 1 188 98 -3.830755319432
154 7 1 1 188 98 -3.830755319432
155 1 7 3 192 100 1.376116637473
156 7 1 3 192 100 1.376116637473
157 1 7 5 196 102 1.067093344007
158 7 1 5 196 102 1.067093344007
159 1 7 6 198 103 -1.036548350268
160 7 1 6 198 103 -1.036548350268
161 1 7 7 200 104 0.1338224287437
162 7 1 7 200 104 0.1338224287437
163 2 2 0 202 105 -0.6033000255209
164 2 2 1 203 106 -53.12609774127
165 2 2 2 204 107 -72.44759355164
166 2 2 3 205 108 -13.78966888876
167 2 2 4 206 109 -17.8659207381
168 2 2 5 207 110 33.14356791242
169 2 2 6 208 111 -7.228223255076
170 2 2 7 209 112 25.58121996836
171 2 3 0 210 113 1.447579055902
172 3 2 0 210 113 1.447579055902
173 2 3 3 216 116 14.71408842892
174 3 2 3 216 116 14.71408842892
175 2 3 4 218 117 20.14733582802
176 3 2 4 218 117 20.14733582802
177 2 3 5 220 118 5.643134891146
178 3 2 5 220 118 5.643134891146
179 2 3 6 222 119 -6.089847690434
180 3 2 6 222 119 -6.089847690434
181 2 3 7 224 120 4.635180307596
182 3 2 7 224 120 4.635180307596
183 2 4 0 226 121 2.487512149296
184 4 2 0 226 121 2.487512149296
185 2 4 1 228 122 -17.36891730947
186 4 2 1 228 122 -17.36891730947
187 2 4 2 230 123 -32.95895109194
188 4 2 2 230 123 -32.95895109194
189 2 4 3 232 124 12.88715108319
190 4 2 3 232 124 12.88715108319
191 2 4 4 234 125 1.199715059629
192 4 2 4 234 125 1.199715059629
193 2 4 5 236 126 24.46174399938
194 4 2 5 236 126 24.46174399938
195 2 4 6 238 127 -7.252816931414
196 4 2 6 238 127 -7.252816931414
197 2 4 7 240 128 14.67188386894
198 4 2 7 240 128 14.67188386894
199 2 5 1 244 130 4.006427053072
200 5 2 1 244 130 4.006427053072
201 2 5 2 246 131 2.335449042108
202 5 2 2 246 131 2.335449042108
203 2 5 3 248 132 2.536483804349
204 5 2 3 248 132 2.536483804349
205 2 5 4 250 133 -0.1710737612374
206 5 2 4 250 133 -0.1710737612374
207 2 5 5 252 134 -7.597672587547
208 5 2 5 252 134 -7.597672587547
209 2 5 6 254 135 -6.557267350371
210 5 2 6 254 135 -6.557267350371
211 2 5 7 256 136 -1.363551784439
212 5 2 7 256 136 -1.363551784439
213 2 6 0 258 137 -0.7937722702682
214 6 2 0 258 137 -0.7937722702682
215 2 6 1 260 138 -26.59343930759
216 6 2 1 260 138 -26.59343930759
217 2 6 2 262 139 -12.39745158429
218 6 2 2 262 139 -12.39745158429
219 2 6 3 264 140 -6.098923443376
220 6 2 3 264 140 -6.098923443376
221 2 6 4 266 141 3.583491325394
222 6 2 4 266 141 3.583491325394
223 2 6 5 268 142 6.354204037967
224 6 2 5 268 142 6.354204037967
225 2 6 6 270 143 1.358225924246
226 6 2 6 270 143 1.358225924246
227 2 6 7 272 144 9.846786380689
228 6 2 7 272 144 9.846786380689
229 2 7 0 274 145 2.414346088583
230 7 2 0 274 145 2.414346088583
231 2 7 1 276 146 10.32878456181
232 7 2 1 276 146 10.32878456181
233 2 7 2 278 147 -0.4607234282955
234 7 2 2 278 147 -0.4607234282955
235 2 7 3 280 148 -0.4197370042033
236 7 2 3 280 148 -0.4197370042033
237 2 7 4 282 149 -5.60951254642
238 7 2 4 282 149 -5.60951254642
239 2 7 5 284 150 -4.111182693885
240 7 2 5 284 150 -4.111182693885
241 2 7 6 286 151 -3.418783693977
242 7 2 6 286 151 -3.418783693977
243 2 7 7 288 152 -3.368560689245
244 7 2 7 288 152 -3.368560689245
245 3 3 0 290 153 2.598557991687
246 3 3 1 291 154 65.2918045029
247 3 3 3 293 156 51.66968339829
248 3 3 4 294 157 -18.29632354242
249 3 3 5 295 158 1.503894469216
250 3 3 6 296 159 -22.16511753804
251 3 3 7 297 160 -8.611146690281
252 3 4 0 298 161 13.13551656184
253 4 3 0 298 161 13.13551656184
254 3 4 2 302 163 12.43581869014
255 4 3 2 302 163 12.43581869014
256 3 4 3 304 164 -20.38563997008
257 4 3 3 304 164 -20.38563997008
258 3 4 4 306 165 -0.3693457462183
259 4 3 4 306 165 -0.3693457462183
260 3 4 5 308 166 -25.50780802187
261 4 3 5 308 166 -25.50780802187
262 3 4 6 310 167 -9.794122131478
263 4 3 6 310 167 -9.794122131478
264 3 4 7 312 168 -9.567476441405
265 4 3 7 312 168 -9.567476441405
266 3 5 0 314 169 2.262978708849
267 5 3 0 314 169 2.262978708849
268 3 5 2 318 171 -16.94041945043
269 5 3 2 318 171 -16.94041945043
270 3 5 3 320 172 -17.09805112751
271 5 3 3 320 172 -17.09805112751
272 3 5 4 322 173 -26.57465463295
273 5 3 4 322 173 -26.57465463295
274 3 5 5 324 174 -20.25984281836
275 5 3 5 324 174 -20.25984281836
276 3 5 6 326 175 -12.81819679298
277 5 3 6 326 175 -12.81819679298
278 3 5 7 328 176 -8.406133795519
279 5 3 7 328 176 -8.406133795519
280 3 6 0 330 177 3.309595058029
281 6 3 0 330 177 3.309595058029
282 3 6 2 334 179 9.938342588181
283 6 3 2 334 179 9.938342588181
284 3 6 3 336 180 1.557122572846
285 6 3 3 336 180 1.557122572846
286 3 6 4 338 181 12.59430272508
287 6 3 4 338 181 12.59430272508
288 3 6 5 340 182 4.488084610839
289 6 3 5 340 182 4.488084610839
290 3 6 6 342 183 4.960701625358
291 6 3 6 342 183 4.960701625358
292 3 6 7 344 184 -2.297836117515
293 6 3 7 344 184 -2.297836117515
294 3 7 0 346 185 -2.63894058613
295 7 3 0 346 185 -2.63894058613
296 3 7 1 348 186 0.866173600734
297 7 3 1 348 186 0.866173600734
298 3 7 2 350 187 -6.208691673803
299 7 3 2 350 187 -6.208691673803
300 3 7 3 352 188 3.138249849447
301 7 3 3 352 188 3.138249849447
302 3 7 4 354 189 -2.45318356003
303 7 3 4 354 189 -2.45318356003
304 3 7 6 358 191 -2.711599045273
305 7 3 6 358 191 -2.711599045273
306 3 7 7 360 192 -1.388647785412
307 7 3 7 360 192 -1.388647785412
308 4 4 0 362 193 4.270074406232
309 4 4 2 364 195 -19.88514625994
310 4 4 3 365 196 5.468873963625
311 4 4 4 366 197 -9.591356786873
312 4 4 5 367 198 2.234590439188
313 4 4 6 368 199 -13.78894402762
314 4 4 7 369 200 5.301248453174
315 4 5 0 370 201 2.843482508125
316 5 4 0 370 201 2.843482508125
317 4 5 3 376 204 -13.48955421868
318 5 4 3 376 204 -13.48955421868
319 4 5 4 378 205 -8.910819095243
320 5 4 4 378 205 -8.910819095243
321 4 5 5 380 206 -17.06862151377
322 5 4 5 380 206 -17.06862151377
323 4 5 6 382 207 -8.115969541671
324 5 4 6 382 207 -8.115969541671
325 4 5 7 384 208 -6.423693361208
326 5 4 7 384 208 -6.423693361208
327 4 6 0 386 209 -0.05769248415557
328 6 4 0 386 209 -0.05769248415557
329 4 6 1 388 210 -3.705818418564
330 6 4 1 388 210 -3.705818418564
331 4 6 2 390 211 -7.251559697697
332 6 4 2 390 211 -7.251559697697
333 4 6 3 392 212 3.596307458489
334 6 4 3 392 212 3.596307458489
335 4 6 4 394 213 1.306578769274
336 6 4 4 394 213 1.306578769274
337 4 6 5 396 214 5.468932811807
338 6 4 5 396 214 5.468932811807
339 4 6 6 398 215 -0.6210647298373
340 6 4 6 398 215 -0.6210647298373
341 4 6 7 400 216 6.249835785409
342 6 4 7 400 216 6.249835785409
343 4 7 0 402 217 -0.9244075454687
344 7 4 0 402 217 -0.9244075454687
345 4 7 1 404 218 10.97308922229
346 7 4 1 404 218 10.97308922229
347 4 7 2 406 219 -2.940246312572
348 7 4 2 406 219 -2.940246312572
349 4 7 3 408 220 3.991074057832
350 7 4 3 408 220 3.991074057832
351 4 7 4 410 221 -3.619272828832
352 7 4 4 410 221 -3.619272828832
353 4 7 6 414 223 -2.485591882687
354 7 4 6 414 223 -2.485591882687
355 4 7 7 416 224 -2.561533441186
356 7 4 7 416 224 -2.561533441186
357 5 5 0 418 225 1.414893573623
358 5 5 1 419 226 -8.37795819487
359 5 5 2 420 227 -12.95418349665
360 5 5 3 421 228 -14.01860951473
361 5 5 4 422 229 -10.77214744062
362 5 5 5 423 230 -10.46531590432
363 5 5 6 424 231 -5.619650160417
364 5 5 7 425 232 -4.682514463871
365 5 6 0 426 233 4.309822274468
366 6 5 0 426 233 4.309822274468
367 5 6 1 428 234 18.92039250231
368 6 5 1 428 234 18.92039250231
369 5 6 2 430 235 12.41520209885
370 6 5 2 430 235 12.41520209885
371 5 6 3 432 236 17.26152903706
372 6 5 3 432 236 17.26152903706
373 5 6 4 434 237 12.48876487929
374 6 5 4 434 237 12.48876487929
375 5 6 5 436 238 10.17472814288
376 6 5 5 436 238 10.17472814288
377 5 6 6 438 239 4.103797700242
378 6 5 6 438 239 4.103797700242
379 5 6 7 440 240 -0.5431238839804
380 6 5 7 440 240 -0.5431238839804
381 5 7 1 444 242 1.437678016923
382 7 5 1 444 242 1.437678016923
383 5 7 2 446 243 -0.8770264159339
384 7 5 2 446 243 -0.8770264159339
385 5 7 3 448 244 4.943411683749
386 7 5 3 448 244 4.943411683749
387 5 7 4 450 245 4.094700096943
388 7 5 4 450 245 4.094700096943
389 5 7 5 452 246 2.162507639376
390 7 5 5 452 246 2.162507639376
391 5 7 6 454 247 -0.1248861253343
392 7 5 6 454 247 -0.1248861253343
393 5 7 7 456 248 -1.011274567456
394 7 5 7 456 248 -1.011274567456
395 6 6 0 458 249 4.455655406693
396 6 6 1 459 250 10.9167669114
397 6 6 2 460 251 6.681345686526
398 6 6 3 461 252 12.49996890782
399 6 6 4 462 253 9.131112049864
400 6 6 5 463 254 8.977217411892
401 6 6 6 464 255 3.276352687487
402 6 6 7 465 256 4.298646267462
403 6 7 0 466 257 2.882226632979
404 7 6 0 466 257 2.882226632979
405 6 7 1 468 258 12.31074143849
406 7 6 1 468 258 12.31074143849
407 6 7 2 470 259 6.703480337219
408 7 6 2 470 259 6.703480337219
409 6 7 3 472 260 10.0621882665
410 7 6 3 472 260 10.0621882665
411 6 7 4 474 261 5.751008173838
412 7 6 4 474 261 5.751008173838
413 6 7 5 476 262 5.107939264477
414 7 6 5 476 262 5.107939264477
415 6 7 6 478 263 0.9831338589094
416 7 6 6 478 263 0.9831338589094
417 6 7 7 480 264 -1.073555017816
418 7 6 7 480 264 -1.073555017816
419 7 7 0 482 265 -0.09425209530269
420 7 7 1 483 266 3.778400417609
421 7 7 2 484 267 0.505670863778
422 7 7 3 485 268 5.785703718098
423 7 7 4 486 269 2.920000008632
424 7 7 5 487 270 2.416577308221
425 7 7 6 488 271 -0.1042657594153
426 7 7 7 489 272 -0.3211342627023

TRIPLETTYPE PARAMS:
   INDEX: 4 ATOMS: C N O
PAIRS: CN CO NO UNIQUE: -1 TOTAL: 429
     index  |  powers  |  equiv index  |  param index  |       parameter       
   ----------------------------------------------------------------------------
0 0 1 1 0 0 20.52415121344
1 0 1 2 1 1 -5.222651813877
2 0 1 3 2 2 -3.286984225376
3 0 1 4 3 3 -11.0021840051
4 0 1 6 5 5 -13.93181226354
5 0 2 1 7 7 -21.82784285083
6 0 2 2 8 8 -21.21296727507
7 0 2 3 9 9 -17.127298845
8 0 2 4 10 10 -9.383831672142
9 0 2 5 11 11 -10.33582027918
10 0 2 6 12 12 -12.22058863939
11 0 2 7 13 13 -7.898106225045
12 0 3 1 14 14 -12.53456217421
13 0 3 2 15 15 -19.69627670986
14 0 3 3 16 16 -17.23890331554
15 0 3 4 17 17 -10.99668647339
16 0 3 5 18 18 -2.557928651492
17 0 3 6 19 19 -17.69601700433
18 0 3 7 20 20 -5.851040707029
19 0 4 1 21 21 -17.10164328186
20 0 4 2 22 22 -13.08695640162
21 0 4 3 23 23 -6.36119824923
22 0 4 4 24 24 1.611580791397
23 0 4 6 26 26 -6.302567636017
24 0 4 7 27 27 -5.233327518112
25 0 5 1 28 28 -3.034133563396
26 0 5 2 29 29 -3.495177198388
27 0 5 4 31 31 0.5425809879434
28 0 5 5 32 32 7.85050193203
29 0 5 6 33 33 -2.435042994115
30 0 5 7 34 34 1.334767372362
31 0 6 1 35 35 -3.26181687607
32 0 6 2 36 36 -4.479499059816
33 0 6 3 37 37 -2.957125115996
34 0 6 4 38 38 -0.5967220920703
35 0 6 5 39 39 0.6331819751916
36 0 6 6 40 40 -0.1874929114487
37 0 6 7 41 41 -2.347671934464
38 0 7 1 42 42 -9.798798730574
39 0 7 2 43 43 1.029305200705
40 0 7 3 44 44 -8.017416388211
41 0 7 4 45 45 -0.1117133862006
42 0 7 5 46 46 -0.8118006116263
43 0 7 6 47 47 1.379015797382
44 0 7 7 48 48 -0.3249787897683
45 1 0 1 49 49 27.63197484593
46 1 0 2 50 50 -12.559126889
47 1 0 5 53 53 -2.02694317425
48 1 0 6 54 54 -20.20903399993
49 1 0 7 55 55 -7.698997711999
50 1 1 0 56 56 19.67861214145
51 1 1 1 57 57 -79.41731119874
52 1 1 2 58 58 38.8226544176
53 1 1 4 60 60 24.60561489681
54 1 1 5 61 61 -2.856849620422
55 1 1 6 62 62 -0.4785703410009
56 1 1 7 63 63 14.37942505641
57 1 2 2 66 66 -13.8324471791
58 1 2 3 67 67 -10.80119633368
59 1 2 4 68 68 4.452233919261
60 1 2 5 69 69 7.795469064115
61 1 2 6 70 70 -8.223130553624
62 1 3 0 72 72 1.028700370622
63 1 3 1 73 73 -45.94536735382
64 1 3 2 74 74 17.05456776433
65 1 3 3 75 75 7.089233897928
66 1 3 4 76 76 -0.7672032532582
67 1 3 5 77 77 12.2285093932
68 1 3 6 78 78 27.07002332698
69 1 3 7 79 79 32.39374001422
70 1 4 0 80 80 6.988107696046
71 1 4 1 81 81 12.08580663503
72 1 4 3 83 83 -13.25990889091
73 1 4 4 84 84 -19.45692136425
74 1 4 6 86 86 3.621672947684
75 1 4 7 87 87 3.340466796247
76 1 5 0 88 88 -4.677594152336
77 1 5 3 91 91 9.684926305754
78 1 5 4 92 92 -8.32098669865
79 1 5 5 93 93 7.58645759003
80 1 5 6 94 94 18.80368201735
81 1 5 7 95 95 15.84579182579
82 1 6 1 97 97 -5.520369294963
83 1 6 2 98 98 3.879954868425
84 1 6 5 101 101 2.303735604591
85 1 6 6 102 102 1.030567286332
86 1 6 7 103 103 -0.3548367668497
87 1 7 1 105 105 -2.369484630123
88 1 7 2 106 106 2.056029731476
89 1 7 3 107 107 1.633937517164
90 1 7 4 108 108 -2.341197626816
91 1 7 5 109 109 -4.766067404785
92 1 7 6 110 110 3.023234616791
93 2 0 1 112 112 -37.90897389118
94 2 0 3 114 114 -10.22512085357
95 2 0 4 115 115 -2.299017410928
96 2 0 5 116 116 -7.485078456207
97 2 0 6 117 117 -6.617163562143
98 2 0 7 118 118 -2.965886291005
99 2 1 0 119 119 -13.6572345465
100 2 1 1 120 120 -7.74735145852
101 2 1 2 121 121 -40.99942119223
102 2 1 3 122 122 -2.380977143712
103 2 1 5 124 124 17.47598735642
104 2 1 6 125 125 -17.54198016899
105 2 2 0 127 127 16.44243002856
106 2 2 1 128 128 -33.86472381819
107 2 2 2 129 129 3.967010692821
108 2 2 4 131 131 3.655749487802
109 2 2 5 132 132 -4.497519826835
110 2 2 6 133 133 -21.11870342034
111 2 2 7 134 134 -11.52276492184
112 2 3 0 135 135 9.67940084736
113 2 3 1 136 136 34.13911908358
114 2 3 3 138 138 36.95703679492
115 2 3 4 139 139 20.76274158339
116 2 3 5 140 140 34.60814405465
117 2 3 6 141 141 -14.92432387565
118 2 3 7 142 142 -1.697741291614
119 2 4 0 143 143 6.420850066028
120 2 4 2 145 145 -0.1618535525461
121 2 4 3 146 146 20.72918075866
122 2 4 4 147 147 13.7204798945
123 2 4 5 148 148 11.44827403155
124 2 4 6 149 149 -10.67461742712
125 2 4 7 150 150 -5.446856098539
126 2 5 0 151 151 -5.283634924523
127 2 5 1 152 152 8.073248627487
128 2 5 2 153 153 -1.352265675304
129 2 5 3 154 154 22.79548891573
130 2 5 4 155 155 11.86864653527
131 2 5 5 156 156 25.44991195314
132 2 5 7 158 158 5.373954179472
133 2 6 0 159 159 -8.784258411881
134 2 6 1 160 160 -14.7710502199
135 2 6 2 161 161 -15.42343986213
136 2 6 3 162 162 -5.718847546558
137 2 6 4 163 163 -4.515081213853
138 2 6 6 165 165 -2.196079936788
139 2 6 7 166 166 -3.781634744187
140 2 7 0 167 167 -4.852319975539
141 2 7 1 168 168 -13.9969665086
142 2 7 2 169 169 -1.701565274246
143 2 7 3 170 170 -6.341992283288
144 2 7 4 171 171 1.262633433711
145 2 7 5 172 172 2.970665731003
146 2 7 6 173 173 2.862000553973
147 2 7 7 174 174 1.052394896482
148 3 0 1 175 175 0.7080824743281
149 3 0 2 176 176 -13.05107178146
150 3 0 3 177 177 -1.422833644153
151 3 0 4 178 178 2.085330685429
152 3 0 5 179 179 2.645251470104
153 3 0 6 180 180 -11.51134308124
154 3 0 7 181 181 -4.336345758271
155 3 1 0 182 182 -24.22287389876
156 3 1 1 183 183 -59.24606089906
157 3 1 2 184 184 -23.93804873513
158 3 1 3 185 185 9.71870973189
159 3 1 4 186 186 -2.300424524505
160 3 1 6 188 188 -2.255366268374
161 3 1 7 189 189 9.376242734483
162 3 2 0 190 190 -3.795369574698
163 3 2 2 192 192 -5.95991026083
164 3 2 3 193 193 12.97883000453
165 3 2 4 194 194 9.970559851676
166 3 2 5 195 195 18.10566792967
167 3 2 6 196 196 -1.293709338707
168 3 2 7 197 197 3.875413103306
169 3 3 0 198 198 -15.40332693812
170 3 3 1 199 199 -9.074987060468
171 3 3 3 201 201 23.26041180091
172 3 3 4 202 202 -10.45975838333
173 3 3 5 203 203 4.727919072141
174 3 3 6 204 204 15.96329951539
175 3 3 7 205 205 19.25273758005
176 3 4 0 206 206 2.177837446409
177 3 4 1 207 207 0.993253885282
178 3 4 3 209 209 -12.23472181308
179 3 4 4 210 210 -14.02660067204
180 3 4 5 211 211 -5.615952573829
181 3 4 6 212 212 1.313829905124
182 3 5 0 214 214 -9.992534778515
183 3 5 2 216 216 -7.834714207621
184 3 5 4 218 218 -16.46205420491
185 3 5 5 219 219 -7.526472585574
186 3 5 6 220 220 7.574371722774
187 3 5 7 221 221 4.764184906611
188 3 6 0 222 222 -1.545432032224
189 3 6 1 223 223 -1.898288654989
190 3 6 3 225 225 0.4258392336015
191 3 6 4 226 226 -3.106435333884
192 3 6 5 227 227 -0.406277712004
193 3 6 6 228 228 -1.439685177308
194 3 6 7 229 229 -0.6571842450132
195 3 7 0 230 230 1.097520474603
196 3 7 1 231 231 8.301583353616
197 3 7 2 232 232 3.77165282628
198 3 7 3 233 233 3.039935456741
199 3 7 4 234 234 -3.731098853217
200 3 7 5 235 235 -7.042022330906
201 3 7 6 236 236 0.6962524339992
202 3 7 7 237 237 -2.415096321578
203 4 0 1 238 238 -8.133482094004
204 4 0 2 239 239 -11.92673412292
205 4 0 4 241 241 -1.530737239993
206 4 0 5 242 242 0.997201913785
207 4 0 6 243 243 -5.30934417484
208 4 0 7 244 244 -4.496801827387
209 4 1 0 245 245 6.594690036776
210 4 1 1 246 246 11.69318500359
211 4 1 2 247 247 -1.900236232136
212 4 1 4 249 249 1.298143700402
213 4 1 5 250 250 -2.06415086718
214 4 1 6 251 251 -9.965743262322
215 4 1 7 252 252 -6.552684148534
216 4 2 0 253 253 -12.17604149813
217 4 2 1 254 254 -15.60107000783
218 4 2 2 255 255 -43.3689113432
219 4 2 3 256 256 0.9434148692208
220 4 2 4 257 257 -10.93022873675
221 4 2 5 258 258 0.1703589318976
222 4 2 6 259 259 -17.94549206583
223 4 2 7 260 260 -10.92294205149
224 4 3 0 261 261 4.493991891573
225 4 3 1 262 262 8.464452658571
226 4 3 3 264 264 3.301189983248
227 4 3 4 265 265 2.749322035411
228 4 3 6 267 267 -11.90785568589
229 4 3 7 268 268 -7.006728159094
230 4 4 0 269 269 -6.370723960556
231 4 4 1 270 270 -3.297140779494
232 4 4 2 271 271 -19.86228127509
233 4 4 3 272 272 8.700295166485
234 4 4 4 273 273 -0.6722214617041
235 4 4 5 274 274 3.09220848874
236 4 4 6 275 275 -10.63938845253
237 4 4 7 276 276 -5.151339357781
238 4 5 0 277 277 6.142577882924
239 4 5 1 278 278 3.937815605201
240 4 5 2 279 279 12.76965606438
241 4 5 3 280 280 4.265436852606
242 4 5 4 281 281 5.441196592291
243 4 5 5 282 282 1.983508915561
244 4 5 6 283 283 -1.849810029129
245 4 5 7 284 284 -0.6185928116874
246 4 6 0 285 285 -5.903422391676
247 4 6 1 286 286 2.381432360829
248 4 6 2 287 287 -11.49226553679
249 4 6 3 288 288 2.731502780946
250 4 6 4 289 289 -5.148537504437
251 4 6 6 291 291 -3.82856277152
252 4 6 7 292 292 -3.287868624015
253 4 7 0 293 293 -0.1496968134966
254 4 7 1 294 294 -2.476922518749
255 4 7 2 295 295 2.573844056424
256 4 7 3 296 296 -1.985648134591
257 4 7 4 297 297 0.587138273515
258 4 7 6 299 299 0.776327283605
259 4 7 7 300 300 -0.02623532292504
260 5 0 1 301 301 0.5911266413704
261 5 0 2 302 302 -4.917542198792
262 5 0 4 304 304 4.522289808448
263 5 0 5 305 305 1.604525231212
264 5 0 6 306 306 -3.421813645774
265 5 0 7 307 307 -3.032421054616
266 5 1 0 308 308 1.6212112925
267 5 1 3 311 311 4.376005891014
268 5 1 4 312 312 -7.636248622244
269 5 1 5 313 313 -9.425663698052
270 5 1 6 314 314 -4.424643105143
271 5 1 7 315 315 -1.58851765231
272 5 2 0 316 316 -8.41355888545
273 5 2 1 317 317 -12.43101309741
274 5 2 2 318 318 -10.69753709972
275 5 2 3 319 319 -4.217503252271
276 5 2 4 320 320 3.200227548367
277 5 2 5 321 321 1.479350178608
278 5 2 7 323 323 -1.502268482851
279 5 3 0 324 324 -0.2681726582813
280 5 3 2 326 326 1.339209090247
281 5 3 3 327 327 -3.662452429408
282 5 3 4 328 328 -15.16014699625
283 5 3 5 329 329 -13.39833054069
284 5 3 6 330 330 1.70793118459
285 5 3 7 331 331 1.903834923331
286 5 4 0 332 332 3.481755268739
287 5 4 1 333 333 -2.174461382396
288 5 4 2 334 334 3.908453593873
289 5 4 3 335 335 -10.24595653078
290 5 4 4 336 336 -6.304165723611
291 5 4 5 337 337 -8.050119855415
292 5 4 7 339 339 -2.403182214444
293 5 5 0 340 340 5.418663683595
294 5 5 1 341 341 22.3478974539
295 5 5 2 342 342 5.468898488278
296 5 5 3 343 343 4.291756743127
297 5 5 4 344 344 -10.23357652596
298 5 5 5 345 345 -8.683098134121
299 5 5 6 346 346 -0.9233780191209
300 5 5 7 347 347 -1.674278084578
301 5 6 0 348 348 6.41781730104
302 5 6 1 349 349 14.48017317343
303 5 6 2 350 350 10.40154168666
304 5 6 3 351 351 7.462791139553
305 5 6 4 352 352 1.050742750793
306 5 6 5 353 353 -0.375514040689
307 5 6 6 354 354 -1.082043186264
308 5 6 7 355 355 -1.12074864787
309 5 7 0 356 356 4.851472022338
310 5 7 1 357 357 16.42254016111
311 5 7 2 358 358 5.283867790851
312 5 7 3 359 359 4.444659642475
313 5 7 4 360 360 -3.718824306839
314 5 7 5 361 361 -5.729673262438
315 5 7 6 362 362 -2.273481064819
316 5 7 7 363 363 -2.974231569562
317 6 0 1 364 364 -9.282648770981
318 6 0 2 365 365 -2.06271398514
319 6 0 4 367 367 4.593676238981
320 6 0 5 368 368 3.512579110126
321 6 0 6 369 369 1.425705700242
322 6 0 7 370 370 0.2238486009132
323 6 1 0 371 371 -5.19966919208
324 6 1 1 372 372 -30.16200775494
325 6 1 2 373 373 -9.146662365153
326 6 1 3 374 374 -7.146157484578
327 6 1 4 375 375 12.62987213317
328 6 1 5 376 376 6.829627121979
329 6 1 7 378 378 -0.5478479702762
330 6 2 0 379 379 -9.176541394429
331 6 2 1 380 380 -18.12667951508
332 6 2 2 381 381 -16.42942744302
333 6 2 4 383 383 1.045940525473
334 6 2 5 384 384 5.6120312234
335 6 2 6 385 385 -1.67328355695
336 6 3 0 387 387 -7.959782878925
337 6 3 1 388 388 -17.06535537458
338 6 3 2 389 389 -11.6240429032
339 6 3 4 391 391 5.337290597897
340 6 3 5 392 392 6.594701977066
341 6 3 6 393 393 -4.052209081947
342 6 3 7 394 394 -0.4153470730729
343 6 4 0 395 395 -5.553836663765
344 6 4 1 396 396 8.284127245967
345 6 4 2 397 397 -8.285686870096
346 6 4 3 398 398 13.68552820007
347 6 4 4 399 399 0.3671373570351
348 6 4 5 400 400 8.274067679751
349 6 4 6 401 401 -1.923724103225
350 6 4 7 402 402 1.494612876139
351 6 5 0 403 403 -3.800097914651
352 6 5 1 404 404 -9.491468634627
353 6 5 2 405 405 -3.118105224316
354 6 5 4 407 407 1.594550469102
355 6 5 5 408 408 1.199672621425
356 6 5 6 409 409 -2.617559306869
357 6 5 7 410 410 -0.3166031749167
358 6 6 0 411 411 -5.760713797601
359 6 6 2 413 413 -8.168086673573
360 6 6 3 414 414 1.532136834672
361 6 6 4 415 415 -4.31001960623
362 6 6 5 416 416 -0.0450970735591
363 6 6 6 417 417 -2.145275454021
364 6 6 7 418 418 -0.9228428962465
365 6 7 0 419 419 -5.611301017998
366 6 7 1 420 420 -11.7854768959
367 6 7 2 421 421 -7.750201937006
368 6 7 3 422 422 -6.701900195598
369 6 7 4 423 423 -3.864035524659
370 6 7 5 424 424 -3.247842444099
371 6 7 6 425 425 -2.364664436148
372 6 7 7 426 426 -1.058336435189
373 7 0 1 427 427 -5.214237129615
374 7 0 2 428 428 -0.07955379752538
375 7 0 3 429 429 -4.02656483303
376 7 0 4 430 430 -1.432062379068
377 7 0 6 432 432 0.2192734921456
378 7 0 7 433 433 0.06062478030281
379 7 1 0 434 434 7.318868382236
380 7 1 1 435 435 -5.934891639676
381 7 1 2 436 436 15.37810468028
382 7 1 4 438 438 3.742071681306
383 7 1 5 439 439 -5.025554871396
384 7 1 6 440 440 3.18207813091
385 7 2 0 442 442 2.569313097871
386 7 2 1 443 443 5.80604355915
387 7 2 2 444 444 7.75940752582
388 7 2 3 445 445 4.788023114556
389 7 2 4 446 446 1.228590498123
390 7 2 5 447 447 4.617986839279
391 7 2 6 448 448 3.561826354401
392 7 2 7 449 449 2.187566189033
393 7 3 0 450 450 8.587979901857
394 7 3 1 451 451 12.04758699153
395 7 3 2 452 452 17.66173657794
396 7 3 3 453 453 7.970085368565
397 7 3 4 454 454 2.204642683317
398 7 3 5 455 455 -2.421733669462
399 7 3 6 456 456 3.936358471776
400 7 3 7 457 457 0.7827827146742
401 7 4 2 460 460 0.9427696243138
402 7 4 3 461 461 -3.56136913405
403 7 4 4 462 462 -4.634844791457
404 7 4 5 463 463 -2.351994192427
405 7 4 6 464 464 0.61433065087
406 7 4 7 465 465 -0.4827443262564
407 7 5 0 466 466 0.290887032017
408 7 5 3 469 469 -4.718869596269
409 7 5 4 470 470 -5.964282773565
410 7 5 5 471 471 -7.274677973334
411 7 5 6 472 472 -0.8352665284795
412 7 5 7 473 473 -1.961362245829
413 7 6 0 474 474 -2.316021301668
414 7 6 1 475 475 -7.598368021683
415 7 6 2 476 476 -3.406147668353
416 7 6 3 477 477 -6.987546956564
417 7 6 4 478 478 -4.272818649733
418 7 6 5 479 479 -4.785775687548
419 7 6 6 480 480 -1.352450917926
420 7 6 7 481 481 -1.712684809433
421 7 7 0 482 482 2.041645399287
422 7 7 1 483 483 3.779481000938
423 7 7 2 484 484 2.467447227876
424 7 7 3 485 485 -0.216705206108
425 7 7 4 486 486 -1.977312285195
426 7 7 5 487 487 -3.485861133627
427 7 7 6 488 488 -1.001581837218
428 7 7 7 489 489 -1.235302820719

TRIPLETTYPE PARAMS:
   INDEX: 5 ATOMS: C O O
PAIRS: CO CO OO UNIQUE: -1 TOTAL: 420
     index  |  powers  |  equiv index  |  param index  |       parameter       
   ----------------------------------------------------------------------------
0 0 1 1 0 0 15.32830427042
1 1 0 1 0 0 15.32830427042
2 0 1 2 2 1 0.1780156719943
3 1 0 2 2 1 0.1780156719943
4 0 1 3 4 2 6.209932715515
5 1 0 3 4 2 6.209932715515
6 0 1 4 6 3 -3.090190129675
7 1 0 4 6 3 -3.090190129675
8 0 1 5 8 4 -0.7503375987663
9 1 0 5 8 4 -0.7503375987663
10 0 1 6 10 5 -6.108395336668
11 1 0 6 10 5 -6.108395336668
12 0 2 1 14 7 -6.039117652925
13 2 0 1 14 7 -6.039117652925
14 0 2 2 16 8 -23.00692558683
15 2 0 2 16 8 -23.00692558683
16 0 2 3 18 9 -4.405053169231
17 2 0 3 18 9 -4.405053169231
18 0 2 4 20 10 -5.639965759348
19 2 0 4 20 10 -5.639965759348
20 0 2 5 22 11 14.01096829739
21 2 0 5 22 11 14.01096829739
22 0 2 6 24 12 11.51232598253
23 2 0 6 24 12 11.51232598253
24 0 2 7 26 13 6.175253794837
25 2 0 7 26 13 6.175253794837
26 0 3 1 28 14 5.954469347731
27 3 0 1 28 14 5.954469347731
28 0 3 2 30 15 -19.88591458791
29 3 0 2 30 15 -19.88591458791
30 0 3 3 32 16 -2.245730977545
31 3 0 3 32 16 -2.245730977545
32 0 3 4 34 17 -8.163740484129
33 3 0 4 34 17 -8.163740484129
34 0 3 5 36 18 3.913535221407
35 3 0 5 36 18 3.913535221407
36 0 3 6 38 19 1.279134610833
37 3 0 6 38 19 1.279134610833
38 0 3 7 40 20 2.319959434969
39 3 0 7 40 20 2.319959434969
40 0 4 1 42 21 -5.467643981901
41 4 0 1 42 21 -5.467643981901
42 0 4 2 44 22 -24.92564180858
43 4 0 2 44 22 -24.92564180858
44 0 4 3 46 23 -14.62163189817
45 4 0 3 46 23 -14.62163189817
46 0 4 4 48 24 -12.21053404327
47 4 0 4 48 24 -12.21053404327
48 0 4 5 50 25 1.968992327534
49 4 0 5 50 25 1.968992327534
50 0 4 6 52 26 7.710821312542
51 4 0 6 52 26 7.710821312542
52 0 4 7 54 27 5.487037211902
53 4 0 7 54 27 5.487037211902
54 0 5 2 58 29 -6.496422101204
55 5 0 2 58 29 -6.496422101204
56 0 5 3 60 30 -2.27021789928
57 5 0 3 60 30 -2.27021789928
58 0 5 7 68 34 -0.6943889687029
59 5 0 7 68 34 -0.6943889687029
60 0 6 1 70 35 0.2745286568417
61 6 0 1 70 35 0.2745286568417
62 0 6 2 72 36 -6.915191861788
63 6 0 2 72 36 -6.915191861788
64 0 6 3 74 37 -1.824711457797
65 6 0 3 74 37 -1.824711457797
66 0 6 4 76 38 -4.513083460707
67 6 0 4 76 38 -4.513083460707
68 0 6 5 78 39 2.618465442417
69 6 0 5 78 39 2.618465442417
70 0 6 7 82 41 2.902406515039
71 6 0 7 82 41 2.902406515039
72 0 7 1 84 42 -0.006692401111586
73 7 0 1 84 42 -0.006692401111586
74 0 7 2 86 43 -4.174674342201
75 7 0 2 86 43 -4.174674342201
76 0 7 3 88 44 -0.12279165103
77 7 0 3 88 44 -0.12279165103
78 0 7 4 90 45 -2.335128368711
79 7 0 4 90 45 -2.335128368711
80 0 7 5 92 46 1.89713709987
81 7 0 5 92 46 1.89713709987
82 0 7 6 94 47 -1.727989327203
83 7 0 6 94 47 -1.727989327203
84 0 7 7 96 48 0.135059269398
85 7 0 7 96 48 0.135059269398
86 1 1 0 98 49 39.18501911115
87 1 1 1 99 50 -31.91197530057
88 1 1 4 102 53 -9.184865123404
89 1 1 5 103 54 27.69887823371
90 1 2 0 106 57 -32.22463243625
91 2 1 0 106 57 -32.22463243625
92 1 2 2 110 59 -21.26693518387
93 2 1 2 110 59 -21.26693518387
94 1 2 3 112 60 36.0348843046
95 2 1 3 112 60 36.0348843046
96 1 2 6 118 63 -18.03922531391
97 2 1 6 118 63 -18.03922531391
98 1 3 0 122 65 -2.077044824601
99 3 1 0 122 65 -2.077044824601
100 1 3 2 126 67 -23.83606946767
101 3 1 2 126 67 -23.83606946767
102 1 3 3 128 68 14.13815578526
103 3 1 3 128 68 14.13815578526
104 1 3 5 132 70 7.464614060887
105 3 1 5 132 70 7.464614060887
106 1 3 6 134 71 -5.242381582044
107 3 1 6 134 71 -5.242381582044
108 1 3 7 136 72 -6.976063990459
109 3 1 7 136 72 -6.976063990459
110 1 4 0 138 73 -15.68718256669
111 4 1 0 138 73 -15.68718256669
112 1 4 2 142 75 -11.48086433172
113 4 1 2 142 75 -11.48086433172
114 1 4 4 146 77 4.49066228175
115 4 1 4 146 77 4.49066228175
116 1 4 5 148 78 -22.26983508575
117 4 1 5 148 78 -22.26983508575
118 1 4 6 150 79 -8.470247227965
119 4 1 6 150 79 -8.470247227965
120 1 4 7 152 80 -8.705844203455
121 4 1 7 152 80 -8.705844203455
122 1 5 0 154 81 6.136627796801
123 5 1 0 154 81 6.136627796801
124 1 5 1 156 82 2.033412652294
125 5 1 1 156 82 2.033412652294
126 1 5 3 160 84 0.9007183336099
127 5 1 3 160 84 0.9007183336099
128 1 5 4 162 85 8.394042829191
129 5 1 4 162 85 8.394042829191
130 1 5 6 166 87 -0.2318915448268
131 5 1 6 166 87 -0.2318915448268
132 1 5 7 168 88 0.2072465039239
133 5 1 7 168 88 0.2072465039239
134 1 6 0 170 89 -8.252856479302
135 6 1 0 170 89 -8.252856479302
136 1 6 1 172 90 -15.35292398544
137 6 1 1 172 90 -15.35292398544
138 1 6 3 176 92 3.083379598551
139 6 1 3 176 92 3.083379598551
140 1 6 4 178 93 11.31519171807
141 6 1 4 178 93 11.31519171807
142 1 6 5 180 94 -0.8001923772247
143 6 1 5 180 94 -0.8001923772247
144 1 6 6 182 95 0.8552255259678
145 6 1 6 182 95 0.8552255259678
146 1 6 7 184 96 1.301097442978
147 6 1 7 184 96 1.301097442978
148 1 7 0 186 97 1.992208767544
149 7 1 0 186 97 1.992208767544
150 1 7 2 190 99 -5.39447161233
151 7 1 2 190 99 -5.39447161233
152 1 7 3 192 100 0.9791797294987
153 7 1 3 192 100 0.9791797294987
154 1 7 5 196 102 6.556158307252
155 7 1 5 196 102 6.556158307252
156 1 7 6 198 103 -0.2302478986989
157 7 1 6 198 103 -0.2302478986989
158 1 7 7 200 104 3.10267014308
159 7 1 7 200 104 3.10267014308
160 2 2 0 202 105 1.311861148118
161 2 2 2 204 107 -71.46182866651
162 2 2 4 206 109 -27.79409142867
163 2 2 5 207 110 42.87274764403
164 2 2 6 208 111 28.14639840608
165 2 2 7 209 112 17.88464012283
166 2 3 0 210 113 -10.2491933465
167 3 2 0 210 113 -10.2491933465
168 2 3 1 212 114 -3.407246075149
169 3 2 1 212 114 -3.407246075149
170 2 3 2 214 115 -22.92606232733
171 3 2 2 214 115 -22.92606232733
172 2 3 3 216 116 12.39320687562
173 3 2 3 216 116 12.39320687562
174 2 3 6 222 119 -2.76225782427
175 3 2 6 222 119 -2.76225782427
176 2 3 7 224 120 0.2930920430229
177 3 2 7 224 120 0.2930920430229
178 2 4 1 228 122 9.008775365893
179 4 2 1 228 122 9.008775365893
180 2 4 2 230 123 -48.59673638123
181 4 2 2 230 123 -48.59673638123
182 2 4 3 232 124 -17.68642587684
183 4 2 3 232 124 -17.68642587684
184 2 4 4 234 125 -19.90136263398
185 4 2 4 234 125 -19.90136263398
186 2 4 5 236 126 10.95562525882
187 4 2 5 236 126 10.95562525882
188 2 4 6 238 127 19.87649413094
189 4 2 6 238 127 19.87649413094
190 2 4 7 240 128 10.97211425591
191 4 2 7 240 128 10.97211425591
192 2 5 0 242 129 1.210474337375
193 5 2 0 242 129 1.210474337375
194 2 5 1 244 130 -0.6968481412277
195 5 2 1 244 130 -0.6968481412277
196 2 5 2 246 131 7.604227491153
197 5 2 2 246 131 7.604227491153
198 2 5 3 248 132 4.620576273974
199 5 2 3 248 132 4.620576273974
200 2 5 4 250 133 15.42518270143
201 5 2 4 250 133 15.42518270143
202 2 5 5 252 134 -2.702971398863
203 5 2 5 252 134 -2.702971398863
204 2 5 6 254 135 0.6668729111182
205 5 2 6 254 135 0.6668729111182
206 2 5 7 256 136 -3.056398224335
207 5 2 7 256 136 -3.056398224335
208 2 6 1 260 138 9.65489271389
209 6 2 1 260 138 9.65489271389
210 2 6 2 262 139 -11.45090200958
211 6 2 2 262 139 -11.45090200958
212 2 6 3 264 140 1.673797193861
213 6 2 3 264 140 1.673797193861
214 2 6 4 266 141 -6.357543061837
215 6 2 4 266 141 -6.357543061837
216 2 6 5 268 142 5.802365066186
217 6 2 5 268 142 5.802365066186
218 2 6 6 270 143 1.923623267039
219 6 2 6 270 143 1.923623267039
220 2 6 7 272 144 4.575079921305
221 6 2 7 272 144 4.575079921305
222 2 7 0 274 145 2.605439883517
223 7 2 0 274 145 2.605439883517
224 2 7 1 276 146 -2.274674207851
225 7 2 1 276 146 -2.274674207851
226 2 7 2 278 147 1.70998932914
227 7 2 2 278 147 1.70998932914
228 2 7 3 280 148 -1.165479170089
229 7 2 3 280 148 -1.165479170089
230 2 7 4 282 149 2.227782673796
231 7 2 4 282 149 2.227782673796
232 2 7 6 286 151 -2.209345839178
233 7 2 6 286 151 -2.209345839178
234 2 7 7 288 152 -1.183609566135
235 7 2 7 288 152 -1.183609566135
236 3 3 1 291 154 1.823903921988
237 3 3 2 292 155 6.221565461351
238 3 3 4 294 157 25.27517832677
239 3 3 5 295 158 -14.04383588954
240 3 3 7 297 160 -9.940250948605
241 3 4 0 298 161 2.995916740596
242 4 3 0 298 161 2.995916740596
243 3 4 2 302 163 4.959233495153
244 4 3 2 302 163 4.959233495153
245 3 4 3 304 164 -10.22650884064
246 4 3 3 304 164 -10.22650884064
247 3 4 4 306 165 14.67668300993
248 4 3 4 306 165 14.67668300993
249 3 4 5 308 166 -15.27715653525
250 4 3 5 308 166 -15.27715653525
251 3 4 6 310 167 2.881943776599
252 4 3 6 310 167 2.881943776599
253 3 4 7 312 168 -5.521332607424
254 4 3 7 312 168 -5.521332607424
255 3 5 0 314 169 12.22927623059
256 5 3 0 314 169 12.22927623059
257 3 5 1 316 170 -0.2749570608778
258 5 3 1 316 170 -0.2749570608778
259 3 5 2 318 171 20.22864349954
260 5 3 2 318 171 20.22864349954
261 3 5 3 320 172 -10.31363616055
262 5 3 3 320 172 -10.31363616055
263 3 5 4 322 173 20.59209401675
264 5 3 4 322 173 20.59209401675
265 3 5 5 324 174 -10.07514945372
266 5 3 5 324 174 -10.07514945372
267 3 5 6 326 175 3.766995078367
268 5 3 6 326 175 3.766995078367
269 3 6 0 330 177 -5.510246165533
270 6 3 0 330 177 -5.510246165533
271 3 6 2 334 179 -1.541469773801
272 6 3 2 334 179 -1.541469773801
273 3 6 3 336 180 5.980320130574
274 6 3 3 336 180 5.980320130574
275 3 6 4 338 181 8.501534477782
276 6 3 4 338 181 8.501534477782
277 3 6 5 340 182 1.410724451833
278 6 3 5 340 182 1.410724451833
279 3 6 6 342 183 2.005995172989
280 6 3 6 342 183 2.005995172989
281 3 6 7 344 184 0.9211656142061
282 6 3 7 344 184 0.9211656142061
283 3 7 0 346 185 2.076857216732
284 7 3 0 346 185 2.076857216732
285 3 7 1 348 186 2.874833321532
286 7 3 1 348 186 2.874833321532
287 3 7 2 350 187 -1.232520043893
288 7 3 2 350 187 -1.232520043893
289 3 7 3 352 188 -4.840149474876
290 7 3 3 352 188 -4.840149474876
291 3 7 4 354 189 1.224672453932
292 7 3 4 354 189 1.224672453932
293 3 7 5 356 190 -0.5945593833283
294 7 3 5 356 190 -0.5945593833283
295 3 7 6 358 191 0.01608287260318
296 7 3 6 358 191 0.01608287260318
297 3 7 7 360 192 2.232639529868
298 7 3 7 360 192 2.232639529868
299 4 4 0 362 193 10.48737987309
300 4 4 1 363 194 -5.501554223867
301 4 4 2 364 195 -11.91725825556
302 4 4 3 365 196 -24.34271374716
303 4 4 5 367 198 -0.1402449483422
304 4 4 6 368 199 17.34832963239
305 4 4 7 369 200 6.890668196165
306 4 5 0 370 201 -1.618271498228
307 5 4 0 370 201 -1.618271498228
308 4 5 1 372 202 11.65403143275
309 5 4 1 372 202 11.65403143275
310 4 5 3 376 204 2.566640085961
311 5 4 3 376 204 2.566640085961
312 4 5 4 378 205 8.082209425932
313 5 4 4 378 205 8.082209425932
314 4 5 5 380 206 -2.055667114064
315 5 4 5 380 206 -2.055667114064
316 4 5 6 382 207 0.91630413959
317 5 4 6 382 207 0.91630413959
318 4 5 7 384 208 -1.773161191334
319 5 4 7 384 208 -1.773161191334
320 4 6 0 386 209 -0.5937431505903
321 6 4 0 386 209 -0.5937431505903
322 4 6 1 388 210 7.277992785704
323 6 4 1 388 210 7.277992785704
324 4 6 2 390 211 -7.333476862247
325 6 4 2 390 211 -7.333476862247
326 4 6 3 392 212 -0.3509717167993
327 6 4 3 392 212 -0.3509717167993
328 4 6 4 394 213 -2.297319794598
329 6 4 4 394 213 -2.297319794598
330 4 6 5 396 214 1.917795018354
331 6 4 5 396 214 1.917795018354
332 4 6 6 398 215 2.725546810962
333 6 4 6 398 215 2.725546810962
334 4 6 7 400 216 2.999876992902
335 6 4 7 400 216 2.999876992902
336 4 7 0 402 217 -0.6886686570965
337 7 4 0 402 217 -0.6886686570965
338 4 7 1 404 218 1.616154577614
339 7 4 1 404 218 1.616154577614
340 4 7 2 406 219 -3.985261749116
341 7 4 2 406 219 -3.985261749116
342 4 7 3 408 220 -3.43283797549
343 7 4 3 408 220 -3.43283797549
344 4 7 4 410 221 -1.700107673772
345 7 4 4 410 221 -1.700107673772
346 4 7 5 412 222 -0.7722523232571
347 7 4 5 412 222 -0.7722523232571
348 4 7 6 414 223 -1.753372679029
349 7 4 6 414 223 -1.753372679029
350 4 7 7 416 224 0.1352861585156
351 7 4 7 416 224 0.1352861585156
352 5 5 1 419 226 10.67233517264
353 5 5 2 420 227 -5.850587312903
354 5 5 3 421 228 -5.801363245896
355 5 5 4 422 229 -2.466189209095
356 5 5 5 423 230 -5.781977420828
357 5 5 6 424 231 -0.8598733223364
358 5 5 7 425 232 3.531685795616
359 5 6 0 426 233 -6.414073692991
360 6 5 0 426 233 -6.414073692991
361 5 6 1 428 234 5.09668647004
362 6 5 1 428 234 5.09668647004
363 5 6 2 430 235 -6.50019178889
364 6 5 2 430 235 -6.50019178889
365 5 6 3 432 236 3.639338665985
366 6 5 3 432 236 3.639338665985
367 5 6 4 434 237 1.361708237918
368 6 5 4 434 237 1.361708237918
369 5 6 6 438 239 -0.5171820655269
370 6 5 6 438 239 -0.5171820655269
371 5 6 7 440 240 -0.7742642563097
372 6 5 7 440 240 -0.7742642563097
373 5 7 0 442 241 0.7843150572205
374 7 5 0 442 241 0.7843150572205
375 5 7 1 444 242 2.319647557349
376 7 5 1 444 242 2.319647557349
377 5 7 2 446 243 -4.553331089628
378 7 5 2 446 243 -4.553331089628
379 5 7 3 448 244 -7.414908580065
380 7 5 3 448 244 -7.414908580065
381 5 7 4 450 245 -5.345257624019
382 7 5 4 450 245 -5.345257624019
383 5 7 5 452 246 -4.018622494075
384 7 5 5 452 246 -4.018622494075
385 5 7 6 454 247 -2.127101456825
386 7 5 6 454 247 -2.127101456825
387 5 7 7 456 248 1.548975578545
388 7 5 7 456 248 1.548975578545
389 6 6 0 458 249 1.243805713278
390 6 6 1 459 250 -1.447313567875
391 6 6 2 460 251 1.079034111542
392 6 6 3 461 252 -3.590725145889
393 6 6 4 462 253 -0.401440611692
394 6 6 5 463 254 -3.492275947758
395 6 6 6 464 255 -0.4856501330693
396 6 6 7 465 256 -0.1588390549759
397 6 7 0 466 257 2.896862081382
398 7 6 0 466 257 2.896862081382
399 6 7 1 468 258 -6.288579795645
400 7 6 1 468 258 -6.288579795645
401 6 7 2 470 259 3.999529835303
402 7 6 2 470 259 3.999529835303
403 6 7 3 472 260 -6.279200717798
404 7 6 3 472 260 -6.279200717798
405 6 7 4 474 261 2.073575091673
406 7 6 4 474 261 2.073575091673
407 6 7 5 476 262 -3.609059101393
408 7 6 5 476 262 -3.609059101393
409 6 7 6 478 263 -0.4524875555728
410 7 6 6 478 263 -0.4524875555728
411 6 7 7 480 264 -1.246280907186
412 7 6 7 480 264 -1.246280907186
413 7 7 0 482 265 2.364547407126
414 7 7 1 483 266 -1.644002405141
415 7 7 3 485 268 -6.138317072772
416 7 7 4 486 269 -3.14497849812
417 7 7 5 487 270 -3.399093364647
418 7 7 6 488 271 -2.161948280212
419 7 7 7 489 272 0.4689130755337

TRIPLETTYPE PARAMS:
   INDEX: 6 ATOMS: N N N
PAIRS: NN NN NN UNIQUE: -1 TOTAL: 387
     index  |  powers  |  equiv index  |  param index  |       parameter       
   ----------------------------------------------------------------------------
0 0 1 2 3 1 -28.99652971492
1 1 0 2 3 1 -28.99652971492
2 0 2 1 3 1 -28.99652971492
3 2 0 1 3 1 -28.99652971492
4 1 2 0 3 1 -28.99652971492
5 2 1 0 3 1 -28.99652971492
6 0 1 3 9 2 13.86714738456
7 1 0 3 9 2 13.86714738456
8 0 3 1 9 2 13.86714738456
9 3 0 1 9 2 13.86714738456
10 1 3 0 9 2 13.86714738456
11 3 1 0 9 2 13.86714738456
12 0 1 4 15 3 -22.49150590629
13 1 0 4 15 3 -22.49150590629
14 0 4 1 15 3 -22.49150590629
15 4 0 1 15 3 -22.49150590629
16 1 4 0 15 3 -22.49150590629
17 4 1 0 15 3 -22.49150590629
18 0 1 5 21 4 5.475593320794
19 1 0 5 21 4 5.475593320794
20 0 5 1 21 4 5.475593320794
21 5 0 1 21 4 5.475593320794
22 1 5 0 21 4 5.475593320794
23 5 1 0 21 4 5.475593320794
24 0 1 6 27 5 -33.91714123277
25 1 0 6 27 5 -33.91714123277
26 0 6 1 27 5 -33.91714123277
27 6 0 1 27 5 -33.91714123277
28 1 6 0 27 5 -33.91714123277
29 6 1 0 27 5 -33.91714123277
30 0 1 7 33 6 5.832750036275
31 1 0 7 33 6 5.832750036275
32 0 7 1 33 6 5.832750036275
33 7 0 1 33 6 5.832750036275
34 1 7 0 33 6 5.832750036275
35 7 1 0 33 6 5.832750036275
36 0 2 2 39 7 -25.3015701135
37 2 0 2 39 7 -25.3015701135
38 2 2 0 39 7 -25.3015701135
39 0 2 3 42 8 -35.47070018498
40 2 0 3 42 8 -35.47070018498
41 0 3 2 42 8 -35.47070018498
42 3 0 2 42 8 -35.47070018498
43 2 3 0 42 8 -35.47070018498
44 3 2 0 42 8 -35.47070018498
45 0 2 4 48 9 -22.57193047211
46 2 0 4 48 9 -22.57193047211
47 0 4 2 48 9 -22.57193047211
48 4 0 2 48 9 -22.57193047211
49 2 4 0 48 9 -22.57193047211
50 4 2 0 48 9 -22.57193047211
51 0 2 5 54 10 -11.55808847664
52 2 0 5 54 10 -11.55808847664
53 0 5 2 54 10 -11.55808847664
54 5 0 2 54 10 -11.55808847664
55 2 5 0 54 10 -11.55808847664
56 5 2 0 54 10 -11.55808847664
57 0 2 6 60 11 5.148173729833
58 2 0 6 60 11 5.148173729833
59 0 6 2 60 11 5.148173729833
60 6 0 2 60 11 5.148173729833
61 2 6 0 60 11 5.148173729833
62 6 2 0 60 11 5.148173729833
63 0 2 7 66 12 0.4402244585785
64 2 0 7 66 12 0.4402244585785
65 0 7 2 66 12 0.4402244585785
66 7 0 2 66 12 0.4402244585785
67 2 7 0 66 12 0.4402244585785
68 7 2 0 66 12 0.4402244585785
69 0 3 4 75 14 -22.79807516446
70 3 0 4 75 14 -22.79807516446
71 0 4 3 75 14 -22.79807516446
72 4 0 3 75 14 -22.79807516446
73 3 4 0 75 14 -22.79807516446
74 4 3 0 75 14 -22.79807516446
75 0 3 5 81 15 3.596041593721
76 3 0 5 81 15 3.596041593721
77 0 5 3 81 15 3.596041593721
78 5 0 3 81 15 3.596041593721
79 3 5 0 81 15 3.596041593721
80 5 3 0 81 15 3.596041593721
81 0 3 6 87 16 -13.77010753683
82 3 0 6 87 16 -13.77010753683
83 0 6 3 87 16 -13.77010753683
84 6 0 3 87 16 -13.77010753683
85 3 6 0 87 16 -13.77010753683
86 6 3 0 87 16 -13.77010753683
87 0 4 4 99 18 5.584979924762
88 4 0 4 99 18 5.584979924762
89 4 4 0 99 18 5.584979924762
90 0 4 5 102 19 -4.06491055981
91 4 0 5 102 19 -4.06491055981
92 0 5 4 102 19 -4.06491055981
93 5 0 4 102 19 -4.06491055981
94 4 5 0 102 19 -4.06491055981
95 5 4 0 102 19 -4.06491055981
96 0 4 6 108 20 2.442298862357
97 4 0 6 108 20 2.442298862357
98 0 6 4 108 20 2.442298862357
99 6 0 4 108 20 2.442298862357
100 4 6 0 108 20 2.442298862357
101 6 4 0 108 20 2.442298862357
102 0 4 7 114 21 -11.62590996234
103 4 0 7 114 21 -11.62590996234
104 0 7 4 114 21 -11.62590996234
105 7 0 4 114 21 -11.62590996234
106 4 7 0 114 21 -11.62590996234
107 7 4 0 114 21 -11.62590996234
108 0 5 5 120 22 9.248275229723
109 5 0 5 120 22 9.248275229723
110 5 5 0 120 22 9.248275229723
111 0 5 6 123 23 -5.032640176189
112 5 0 6 123 23 -5.032640176189
113 0 6 5 123 23 -5.032640176189
114 6 0 5 123 23 -5.032640176189
115 5 6 0 123 23 -5.032640176189
116 6 5 0 123 23 -5.032640176189
117 0 6 6 135 25 -1.896117955273
118 6 0 6 135 25 -1.896117955273
119 6 6 0 135 25 -1.896117955273
120 0 6 7 138 26 -3.028447284932
121 6 0 7 138 26 -3.028447284932
122 0 7 6 138 26 -3.028447284932
123 7 0 6 138 26 -3.028447284932
124 6 7 0 138 26 -3.028447284932
125 7 6 0 138 26 -3.028447284932
126 0 7 7 144 27 1.651645710937
127 7 0 7 144 27 1.651645710937
128 7 7 0 144 27 1.651645710937
129 1 1 1 147 28 -149.0007858005
130 1 1 2 148 29 -29.2353910329
131 1 2 1 148 29 -29.2353910329
132 2 1 1 148 29 -29.2353910329
133 1 1 6 160 33 -61.31308194486
134 1 6 1 160 33 -61.31308194486
135 6 1 1 160 33 -61.31308194486
136 1 2 3 169 36 36.25874169196
137 2 1 3 169 36 36.25874169196
138 1 3 2 169 36 36.25874169196
139 3 1 2 169 36 36.25874169196
140 2 3 1 169 36 36.25874169196
141 3 2 1 169 36 36.25874169196
142 1 2 4 175 37 -22.03443077593
143 2 1 4 175 37 -22.03443077593
144 1 4 2 175 37 -22.03443077593
145 4 1 2 175 37 -22.03443077593
146 2 4 1 175 37 -22.03443077593
147 4 2 1 175 37 -22.03443077593
148 1 2 5 181 38 6.357185911384
149 2 1 5 181 38 6.357185911384
150 1 5 2 181 38 6.357185911384
151 5 1 2 181 38 6.357185911384
152 2 5 1 181 38 6.357185911384
153 5 2 1 181 38 6.357185911384
154 1 2 7 193 40 10.67568730652
155 2 1 7 193 40 10.67568730652
156 1 7 2 193 40 10.67568730652
157 7 1 2 193 40 10.67568730652
158 2 7 1 193 40 10.67568730652
159 7 2 1 193 40 10.67568730652
160 1 3 3 199 41 24.79665493155
161 3 1 3 199 41 24.79665493155
162 3 3 1 199 41 24.79665493155
163 1 3 4 202 42 -4.643901211304
164 3 1 4 202 42 -4.643901211304
165 1 4 3 202 42 -4.643901211304
166 4 1 3 202 42 -4.643901211304
167 3 4 1 202 42 -4.643901211304
168 4 3 1 202 42 -4.643901211304
169 1 3 7 220 45 -4.16503851896
170 3 1 7 220 45 -4.16503851896
171 1 7 3 220 45 -4.16503851896
172 7 1 3 220 45 -4.16503851896
173 3 7 1 220 45 -4.16503851896
174 7 3 1 220 45 -4.16503851896
175 1 4 6 235 48 5.830826073539
176 4 1 6 235 48 5.830826073539
177 1 6 4 235 48 5.830826073539
178 6 1 4 235 48 5.830826073539
179 4 6 1 235 48 5.830826073539
180 6 4 1 235 48 5.830826073539
181 1 4 7 241 49 -14.69664830735
182 4 1 7 241 49 -14.69664830735
183 1 7 4 241 49 -14.69664830735
184 7 1 4 241 49 -14.69664830735
185 4 7 1 241 49 -14.69664830735
186 7 4 1 241 49 -14.69664830735
187 1 5 5 247 50 21.56987165875
188 5 1 5 247 50 21.56987165875
189 5 5 1 247 50 21.56987165875
190 1 5 6 250 51 4.288272927526
191 5 1 6 250 51 4.288272927526
192 1 6 5 250 51 4.288272927526
193 6 1 5 250 51 4.288272927526
194 5 6 1 250 51 4.288272927526
195 6 5 1 250 51 4.288272927526
196 1 5 7 256 52 3.765508912182
197 5 1 7 256 52 3.765508912182
198 1 7 5 256 52 3.765508912182
199 7 1 5 256 52 3.765508912182
200 5 7 1 256 52 3.765508912182
201 7 5 1 256 52 3.765508912182
202 1 6 6 262 53 -5.933605469549
203 6 1 6 262 53 -5.933605469549
204 6 6 1 262 53 -5.933605469549
205 1 6 7 265 54 -4.025216576127
206 6 1 7 265 54 -4.025216576127
207 1 7 6 265 54 -4.025216576127
208 7 1 6 265 54 -4.025216576127
209 6 7 1 265 54 -4.025216576127
210 7 6 1 265 54 -4.025216576127
211 1 7 7 271 55 0.5108126371262
212 7 1 7 271 55 0.5108126371262
213 7 7 1 271 55 0.5108126371262
214 2 2 3 275 57 28.96247263013
215 2 3 2 275 57 28.96247263013
216 3 2 2 275 57 28.96247263013
217 2 2 4 278 58 -12.37011365171
218 2 4 2 278 58 -12.37011365171
219 4 2 2 278 58 -12.37011365171
220 2 2 6 284 60 20.11311603825
221 2 6 2 284 60 20.11311603825
222 6 2 2 284 60 20.11311603825
223 2 2 7 287 61 3.792947921503
224 2 7 2 287 61 3.792947921503
225 7 2 2 287 61 3.792947921503
226 2 3 3 290 62 72.52130840274
227 3 2 3 290 62 72.52130840274
228 3 3 2 290 62 72.52130840274
229 2 3 6 305 65 7.294774912098
230 3 2 6 305 65 7.294774912098
231 2 6 3 305 65 7.294774912098
232 6 2 3 305 65 7.294774912098
233 3 6 2 305 65 7.294774912098
234 6 3 2 305 65 7.294774912098
235 2 3 7 311 66 -4.883544820034
236 3 2 7 311 66 -4.883544820034
237 2 7 3 311 66 -4.883544820034
238 7 2 3 311 66 -4.883544820034
239 3 7 2 311 66 -4.883544820034
240 7 3 2 311 66 -4.883544820034
241 2 4 4 317 67 11.74456028721
242 4 2 4 317 67 11.74456028721
243 4 4 2 317 67 11.74456028721
244 2 4 5 320 68 -17.62383671238
245 4 2 5 320 68 -17.62383671238
246 2 5 4 320 68 -17.62383671238
247 5 2 4 320 68 -17.62383671238
248 4 5 2 320 68 -17.62383671238
249 5 4 2 320 68 -17.62383671238
250 2 4 7 332 70 -21.23971028644
251 4 2 7 332 70 -21.23971028644
252 2 7 4 332 70 -21.23971028644
253 7 2 4 332 70 -21.23971028644
254 4 7 2 332 70 -21.23971028644
255 7 4 2 332 70 -21.23971028644
256 2 5 5 338 71 -1.805370143935
257 5 2 5 338 71 -1.805370143935
258 5 5 2 338 71 -1.805370143935
259 2 5 6 341 72 1.049161620674
260 5 2 6 341 72 1.049161620674
261 2 6 5 341 72 1.049161620674
262 6 2 5 341 72 1.049161620674
263 5 6 2 341 72 1.049161620674
264 6 5 2 341 72 1.049161620674
265 2 5 7 347 73 -1.721904721752
266 5 2 7 347 73 -1.721904721752
267 2 7 5 347 73 -1.721904721752
268 7 2 5 347 73 -1.721904721752
269 5 7 2 347 73 -1.721904721752
270 7 5 2 347 73 -1.721904721752
271 2 6 6 353 74 -2.703630583719
272 6 2 6 353 74 -2.703630583719
273 6 6 2 353 74 -2.703630583719
274 2 7 7 362 76 2.897148804158
275 7 2 7 362 76 2.897148804158
276 7 7 2 362 76 2.897148804158
277 3 3 3 365 77 17.42453285258
278 3 3 4 366 78 -12.11294555136
279 3 4 3 366 78 -12.11294555136
280 4 3 3 366 78 -12.11294555136
281 3 3 5 369 79 -35.29382150647
282 3 5 3 369 79 -35.29382150647
283 5 3 3 369 79 -35.29382150647
284 3 3 6 372 80 10.38404715967
285 3 6 3 372 80 10.38404715967
286 6 3 3 372 80 10.38404715967
287 3 3 7 375 81 -17.93629011454
288 3 7 3 375 81 -17.93629011454
289 7 3 3 375 81 -17.93629011454
290 3 4 5 381 83 -22.73038159281
291 4 3 5 381 83 -22.73038159281
292 3 5 4 381 83 -22.73038159281
293 5 3 4 381 83 -22.73038159281
294 4 5 3 381 83 -22.73038159281
295 5 4 3 381 83 -22.73038159281
296 3 4 6 387 84 1.300092342892
297 4 3 6 387 84 1.300092342892
298 3 6 4 387 84 1.300092342892
299 6 3 4 387 84 1.300092342892
300 4 6 3 387 84 1.300092342892
301 6 4 3 387 84 1.300092342892
302 3 4 7 393 85 -17.48887154859
303 4 3 7 393 85 -17.48887154859
304 3 7 4 393 85 -17.48887154859
305 7 3 4 393 85 -17.48887154859
306 4 7 3 393 85 -17.48887154859
307 7 4 3 393 85 -17.48887154859
308 3 5 5 399 86 -2.056610308645
309 5 3 5 399 86 -2.056610308645
310 5 5 3 399 86 -2.056610308645
311 3 5 6 402 87 8.078886084373
312 5 3 6 402 87 8.078886084373
313 3 6 5 402 87 8.078886084373
314 6 3 5 402 87 8.078886084373
315 5 6 3 402 87 8.078886084373
316 6 5 3 402 87 8.078886084373
317 3 5 7 408 88 -0.2482469831631
318 5 3 7 408 88 -0.2482469831631
319 3 7 5 408 88 -0.2482469831631
320 7 3 5 408 88 -0.2482469831631
321 5 7 3 408 88 -0.2482469831631
322 7 5 3 408 88 -0.2482469831631
323 3 6 6 414 89 -2.50173103362
324 6 3 6 414 89 -2.50173103362
325 6 6 3 414 89 -2.50173103362
326 3 6 7 417 90 -0.4342331196048
327 6 3 7 417 90 -0.4342331196048
328 3 7 6 417 90 -0.4342331196048
329 7 3 6 417 90 -0.4342331196048
330 6 7 3 417 90 -0.4342331196048
331 7 6 3 417 90 -0.4342331196048
332 3 7 7 423 91 -1.325449511961
333 7 3 7 423 91 -1.325449511961
334 7 7 3 423 91 -1.325449511961
335 4 4 4 426 92 23.83083483722
336 4 4 5 427 93 -5.509846605986
337 4 5 4 427 93 -5.509846605986
338 5 4 4 427 93 -5.509846605986
339 4 4 7 433 95 -13.62372394432
340 4 7 4 433 95 -13.62372394432
341 7 4 4 433 95 -13.62372394432
342 4 5 5 436 96 10.37823598583
343 5 4 5 436 96 10.37823598583
344 5 5 4 436 96 10.37823598583
345 4 5 6 439 97 8.377772075017
346 5 4 6 439 97 8.377772075017
347 4 6 5 439 97 8.377772075017
348 6 4 5 439 97 8.377772075017
349 5 6 4 439 97 8.377772075017
350 6 5 4 439 97 8.377772075017
351 4 5 7 445 98 2.030808197897
352 5 4 7 445 98 2.030808197897
353 4 7 5 445 98 2.030808197897
354 7 4 5 445 98 2.030808197897
355 5 7 4 445 98 2.030808197897
356 7 5 4 445 98 2.030808197897
357 4 6 6 451 99 -0.0785088240537
358 6 4 6 451 99 -0.0785088240537
359 6 6 4 451 99 -0.0785088240537
360 4 6 7 454 100 1.232550176426
361 6 4 7 454 100 1.232550176426
362 4 7 6 454 100 1.232550176426
363 7 4 6 454 100 1.232550176426
364 6 7 4 454 100 1.232550176426
365 7 6 4 454 100 1.232550176426
366 4 7 7 460 101 1.894960872626
367 7 4 7 460 101 1.894960872626
368 7 7 4 460 101 1.894960872626
369 5 5 5 463 102 34.20639506883
370 5 5 6 464 103 13.8552589948
371 5 6 5 464 103 13.8552589948
372 6 5 5 464 103 13.8552589948
373 5 5 7 467 104 8.021134958196
374 5 7 5 467 104 8.021134958196
375 7 5 5 467 104 8.021134958196
376 5 7 7 479 107 -2.173821730238
377 7 5 7 479 107 -2.173821730238
378 7 7 5 479 107 -2.173821730238
379 6 6 6 482 108 -3.505178111843
380 6 6 7 483 109 -2.999109235101
381 6 7 6 483 109 -2.999109235101
382 7 6 6 483 109 -2.999109235101
383 6 7 7 486 110 -2.287330211179
384 7 6 7 486 110 -2.287330211179
385 7 7 6 486 110 -2.287330211179
386 7 7 7 489 111 -4.737023728189

TRIPLETTYPE PARAMS:
   INDEX: 7 ATOMS: N N O
PAIRS: NN NO NO UNIQUE: -1 TOTAL: 408
     index  |  powers  |  equiv index  |  param index  |       parameter       
   ----------------------------------------------------------------------------
0 0 1 1 0 0 54.93249718806
1 0 1 2 1 1 -53.33874329474
2 0 2 1 1 1 -53.33874329474
3 0 1 3 3 2 -7.722341226777
4 0 3 1 3 2 -7.722341226777
5 0 1 4 5 3 -8.230464798728
6 0 4 1 5 3 -8.230464798728
7 0 1 6 9 5 -14.86621104923
8 0 6 1 9 5 -14.86621104923
9 0 1 7 11 6 -1.448320222883
10 0 7 1 11 6 -1.448320222883
11 0 2 2 13 7 -10.65622989924
12 0 2 3 14 8 -35.57189079905
13 0 3 2 14 8 -35.57189079905
14 0 2 5 18 10 -4.49704059415
15 0 5 2 18 10 -4.49704059415
16 0 2 6 20 11 4.786003793321
17 0 6 2 20 11 4.786003793321
18 0 2 7 22 12 -3.014924001758
19 0 7 2 22 12 -3.014924001758
20 0 3 3 24 13 -38.0271398729
21 0 3 4 25 14 -4.232829223569
22 0 4 3 25 14 -4.232829223569
23 0 3 5 27 15 -11.67821029954
24 0 5 3 27 15 -11.67821029954
25 0 3 6 29 16 -5.672181904135
26 0 6 3 29 16 -5.672181904135
27 0 3 7 31 17 -10.09668286593
28 0 7 3 31 17 -10.09668286593
29 0 4 4 33 18 19.36705895517
30 0 4 5 34 19 4.842897858192
31 0 5 4 34 19 4.842897858192
32 0 4 6 36 20 7.022272611181
33 0 6 4 36 20 7.022272611181
34 0 4 7 38 21 -14.76699035052
35 0 7 4 38 21 -14.76699035052
36 0 5 5 40 22 -5.78325842283
37 0 5 7 43 24 -5.371040943477
38 0 7 5 43 24 -5.371040943477
39 0 6 6 45 25 3.96994476077
40 0 6 7 46 26 -2.101739411757
41 0 7 6 46 26 -2.101739411757
42 0 7 7 48 27 6.091726882356
43 1 0 1 49 28 34.27215498996
44 1 1 0 49 28 34.27215498996
45 1 0 2 51 29 -16.86500486824
46 1 2 0 51 29 -16.86500486824
47 1 0 5 57 32 -3.142851375279
48 1 5 0 57 32 -3.142851375279
49 1 0 6 59 33 -8.600472007218
50 1 6 0 59 33 -8.600472007218
51 1 0 7 61 34 5.532291438264
52 1 7 0 61 34 5.532291438264
53 1 1 1 63 35 -89.66111586264
54 1 1 3 66 37 16.04133070416
55 1 3 1 66 37 16.04133070416
56 1 1 4 68 38 53.46097427571
57 1 4 1 68 38 53.46097427571
58 1 1 5 70 39 43.89461964307
59 1 5 1 70 39 43.89461964307
60 1 1 6 72 40 -4.115589578779
61 1 6 1 72 40 -4.115589578779
62 1 2 2 76 42 -29.43155727634
63 1 2 3 77 43 -40.36284724609
64 1 3 2 77 43 -40.36284724609
65 1 2 4 79 44 10.04839216157
66 1 4 2 79 44 10.04839216157
67 1 2 6 83 46 39.10637201649
68 1 6 2 83 46 39.10637201649
69 1 2 7 85 47 12.98463581317
70 1 7 2 85 47 12.98463581317
71 1 3 4 88 49 -0.8964919466208
72 1 4 3 88 49 -0.8964919466208
73 1 3 5 90 50 28.26183788255
74 1 5 3 90 50 28.26183788255
75 1 3 6 92 51 29.54740241047
76 1 6 3 92 51 29.54740241047
77 1 4 4 96 53 11.91090652635
78 1 4 5 97 54 1.12772949049
79 1 5 4 97 54 1.12772949049
80 1 4 6 99 55 31.03559679213
81 1 6 4 99 55 31.03559679213
82 1 4 7 101 56 -0.8451047888603
83 1 7 4 101 56 -0.8451047888603
84 1 5 7 106 59 -8.17219729504
85 1 7 5 106 59 -8.17219729504
86 1 6 6 108 60 10.62769522854
87 1 6 7 109 61 2.387728954801
88 1 7 6 109 61 2.387728954801
89 1 7 7 111 62 1.715411659062
90 2 0 1 112 63 -8.354654863472
91 2 1 0 112 63 -8.354654863472
92 2 0 2 114 64 -5.379633050081
93 2 2 0 114 64 -5.379633050081
94 2 0 3 116 65 -6.903001714421
95 2 3 0 116 65 -6.903001714421
96 2 0 4 118 66 -25.9246132514
97 2 4 0 118 66 -25.9246132514
98 2 0 5 120 67 -21.25591816995
99 2 5 0 120 67 -21.25591816995
100 2 0 6 122 68 -21.02456458543
101 2 6 0 122 68 -21.02456458543
102 2 0 7 124 69 -5.689060351595
103 2 7 0 124 69 -5.689060351595
104 2 1 1 126 70 -0.175690083106
105 2 1 3 129 72 3.989815626768
106 2 3 1 129 72 3.989815626768
107 2 1 5 133 74 -4.764375003834
108 2 5 1 133 74 -4.764375003834
109 2 1 6 135 75 -3.69605386985
110 2 6 1 135 75 -3.69605386985
111 2 1 7 137 76 9.803535866076
112 2 7 1 137 76 9.803535866076
113 2 2 3 140 78 13.28531584236
114 2 3 2 140 78 13.28531584236
115 2 2 4 142 79 -23.16922795059
116 2 4 2 142 79 -23.16922795059
117 2 2 6 146 81 -13.03009708444
118 2 6 2 146 81 -13.03009708444
119 2 3 4 151 84 5.036238790072
120 2 4 3 151 84 5.036238790072
121 2 3 5 153 85 3.322106350197
122 2 5 3 153 85 3.322106350197
123 2 3 6 155 86 12.22544383041
124 2 6 3 155 86 12.22544383041
125 2 3 7 157 87 1.556309142447
126 2 7 3 157 87 1.556309142447
127 2 4 6 162 90 -2.185453979847
128 2 6 4 162 90 -2.185453979847
129 2 4 7 164 91 -21.75841513969
130 2 7 4 164 91 -21.75841513969
131 2 5 6 167 93 6.501005791451
132 2 6 5 167 93 6.501005791451
133 2 6 6 171 95 1.632866778833
134 2 6 7 172 96 0.03614698768449
135 2 7 6 172 96 0.03614698768449
136 2 7 7 174 97 13.69410590272
137 3 0 2 177 99 -15.55864176905
138 3 2 0 177 99 -15.55864176905
139 3 0 3 179 100 -14.61953449753
140 3 3 0 179 100 -14.61953449753
141 3 0 4 181 101 -24.38191072553
142 3 4 0 181 101 -24.38191072553
143 3 0 5 183 102 -21.43741694172
144 3 5 0 183 102 -21.43741694172
145 3 0 6 185 103 -26.74606486608
146 3 6 0 185 103 -26.74606486608
147 3 0 7 187 104 -2.113323837974
148 3 7 0 187 104 -2.113323837974
149 3 1 1 189 105 -76.93819393174
150 3 1 2 190 106 23.85155321814
151 3 2 1 190 106 23.85155321814
152 3 1 3 192 107 6.895686237339
153 3 3 1 192 107 6.895686237339
154 3 1 5 196 109 1.454333352192
155 3 5 1 196 109 1.454333352192
156 3 1 6 198 110 -2.986316459327
157 3 6 1 198 110 -2.986316459327
158 3 1 7 200 111 4.678874066294
159 3 7 1 200 111 4.678874066294
160 3 2 3 203 113 4.06838041961
161 3 3 2 203 113 4.06838041961
162 3 2 4 205 114 -17.726290594
163 3 4 2 205 114 -17.726290594
164 3 2 5 207 115 -9.903640310064
165 3 5 2 207 115 -9.903640310064
166 3 2 7 211 117 5.566934419607
167 3 7 2 211 117 5.566934419607
168 3 3 4 214 119 -21.10001390521
169 3 4 3 214 119 -21.10001390521
170 3 3 5 216 120 -3.791398918744
171 3 5 3 216 120 -3.791398918744
172 3 3 6 218 121 24.08181566838
173 3 6 3 218 121 24.08181566838
174 3 4 4 222 123 -25.46895829866
175 3 4 5 223 124 -22.71004915
176 3 5 4 223 124 -22.71004915
177 3 4 7 227 126 -5.884805228032
178 3 7 4 227 126 -5.884805228032
179 3 5 5 229 127 -21.46943980974
180 3 5 6 230 128 -3.525142893154
181 3 6 5 230 128 -3.525142893154
182 3 5 7 232 129 -9.303495758191
183 3 7 5 232 129 -9.303495758191
184 3 6 6 234 130 -3.060351842998
185 3 6 7 235 131 1.40311094328
186 3 7 6 235 131 1.40311094328
187 3 7 7 237 132 -0.9247875040142
188 4 0 1 238 133 -15.64281097489
189 4 1 0 238 133 -15.64281097489
190 4 0 2 240 134 -6.005743849694
191 4 2 0 240 134 -6.005743849694
192 4 0 4 244 136 5.818740423557
193 4 4 0 244 136 5.818740423557
194 4 0 5 246 137 7.859956034973
195 4 5 0 246 137 7.859956034973
196 4 0 6 248 138 -8.922742342284
197 4 6 0 248 138 -8.922742342284
198 4 0 7 250 139 -6.712893386489
199 4 7 0 250 139 -6.712893386489
200 4 1 1 252 140 2.229184758438
201 4 1 2 253 141 -9.262417442051
202 4 2 1 253 141 -9.262417442051
203 4 1 3 255 142 3.916540568258
204 4 3 1 255 142 3.916540568258
205 4 1 5 259 144 24.66484606667
206 4 5 1 259 144 24.66484606667
207 4 1 6 261 145 16.6209466746
208 4 6 1 261 145 16.6209466746
209 4 1 7 263 146 13.92194386612
210 4 7 1 263 146 13.92194386612
211 4 2 3 266 148 18.61157576011
212 4 3 2 266 148 18.61157576011
213 4 2 4 268 149 18.78204632717
214 4 4 2 268 149 18.78204632717
215 4 2 5 270 150 24.37715706926
216 4 5 2 270 150 24.37715706926
217 4 2 6 272 151 -7.698548546756
218 4 6 2 272 151 -7.698548546756
219 4 2 7 274 152 -8.224757252557
220 4 7 2 274 152 -8.224757252557
221 4 3 3 276 153 -12.4895329002
222 4 3 4 277 154 1.453697720902
223 4 4 3 277 154 1.453697720902
224 4 3 6 281 156 11.45629361074
225 4 6 3 281 156 11.45629361074
226 4 4 4 285 158 17.83202025905
227 4 4 5 286 159 -4.086307271069
228 4 5 4 286 159 -4.086307271069
229 4 4 6 288 160 -8.257736415818
230 4 6 4 288 160 -8.257736415818
231 4 4 7 290 161 -22.41709453535
232 4 7 4 290 161 -22.41709453535
233 4 5 5 292 162 -7.309284954912
234 4 5 6 293 163 1.317521000198
235 4 6 5 293 163 1.317521000198
236 4 5 7 295 164 -2.534411046068
237 4 7 5 295 164 -2.534411046068
238 4 6 6 297 165 -6.011808427291
239 4 6 7 298 166 -2.990055760838
240 4 7 6 298 166 -2.990055760838
241 4 7 7 300 167 8.475709460733
242 5 0 1 301 168 7.306312514902
243 5 1 0 301 168 7.306312514902
244 5 0 2 303 169 -10.21457774351
245 5 2 0 303 169 -10.21457774351
246 5 0 3 305 170 -5.462711497057
247 5 3 0 305 170 -5.462711497057
248 5 0 4 307 171 -3.855677505203
249 5 4 0 307 171 -3.855677505203
250 5 0 5 309 172 3.161217759949
251 5 5 0 309 172 3.161217759949
252 5 0 6 311 173 -6.516746255376
253 5 6 0 311 173 -6.516746255376
254 5 0 7 313 174 -1.222566832575
255 5 7 0 313 174 -1.222566832575
256 5 1 2 316 176 10.03633470943
257 5 2 1 316 176 10.03633470943
258 5 1 3 318 177 -6.304438965301
259 5 3 1 318 177 -6.304438965301
260 5 1 4 320 178 -7.232127612687
261 5 4 1 320 178 -7.232127612687
262 5 1 5 322 179 17.72041444378
263 5 5 1 322 179 17.72041444378
264 5 1 6 324 180 12.41613767795
265 5 6 1 324 180 12.41613767795
266 5 1 7 326 181 -1.218330429971
267 5 7 1 326 181 -1.218330429971
268 5 2 4 331 184 8.911481585826
269 5 4 2 331 184 8.911481585826
270 5 2 5 333 185 13.46311945505
271 5 5 2 333 185 13.46311945505
272 5 2 6 335 186 10.30365460449
273 5 6 2 335 186 10.30365460449
274 5 2 7 337 187 -0.8466806641847
275 5 7 2 337 187 -0.8466806641847
276 5 3 3 339 188 -27.23015440933
277 5 3 4 340 189 -10.58425383603
278 5 4 3 340 189 -10.58425383603
279 5 3 6 344 191 20.49021129346
280 5 6 3 344 191 20.49021129346
281 5 3 7 346 192 -9.069169068159
282 5 7 3 346 192 -9.069169068159
283 5 4 4 348 193 10.254298472
284 5 4 6 351 195 8.074779371283
285 5 6 4 351 195 8.074779371283
286 5 4 7 353 196 -5.852557064313
287 5 7 4 353 196 -5.852557064313
288 5 5 5 355 197 -4.044017071458
289 5 5 6 356 198 4.413244264364
290 5 6 5 356 198 4.413244264364
291 5 5 7 358 199 -8.665167777785
292 5 7 5 358 199 -8.665167777785
293 5 6 6 360 200 0.8834195333631
294 5 6 7 361 201 0.5218095196938
295 5 7 6 361 201 0.5218095196938
296 5 7 7 363 202 -3.785289977082
297 6 0 1 364 203 -12.47370965096
298 6 1 0 364 203 -12.47370965096
299 6 0 2 366 204 -4.717452331318
300 6 2 0 366 204 -4.717452331318
301 6 0 3 368 205 -15.00633676733
302 6 3 0 368 205 -15.00633676733
303 6 0 4 370 206 -6.272819195665
304 6 4 0 370 206 -6.272819195665
305 6 0 5 372 207 -2.272622534063
306 6 5 0 372 207 -2.272622534063
307 6 0 6 374 208 -0.8192997286088
308 6 6 0 374 208 -0.8192997286088
309 6 0 7 376 209 -3.614156724651
310 6 7 0 376 209 -3.614156724651
311 6 1 1 378 210 -18.32229745524
312 6 1 3 381 212 -11.3701592534
313 6 3 1 381 212 -11.3701592534
314 6 1 5 385 214 12.65634203494
315 6 5 1 385 214 12.65634203494
316 6 1 6 387 215 13.96441756226
317 6 6 1 387 215 13.96441756226
318 6 1 7 389 216 1.045707409654
319 6 7 1 389 216 1.045707409654
320 6 2 4 394 219 -1.123726736014
321 6 4 2 394 219 -1.123726736014
322 6 2 5 396 220 8.617975340801
323 6 5 2 396 220 8.617975340801
324 6 2 6 398 221 2.653404226734
325 6 6 2 398 221 2.653404226734
326 6 2 7 400 222 -2.443220640673
327 6 7 2 400 222 -2.443220640673
328 6 3 3 402 223 -4.316884469312
329 6 3 4 403 224 -1.166332061602
330 6 4 3 403 224 -1.166332061602
331 6 3 5 405 225 6.869402219231
332 6 5 3 405 225 6.869402219231
333 6 3 6 407 226 8.08228760799
334 6 6 3 407 226 8.08228760799
335 6 3 7 409 227 -1.519540441884
336 6 7 3 409 227 -1.519540441884
337 6 4 5 412 229 0.05900817907617
338 6 5 4 412 229 0.05900817907617
339 6 4 6 414 230 -0.08317467795252
340 6 6 4 414 230 -0.08317467795252
341 6 4 7 416 231 -7.588317293464
342 6 7 4 416 231 -7.588317293464
343 6 5 5 418 232 3.380870735045
344 6 5 6 419 233 2.564203126092
345 6 6 5 419 233 2.564203126092
346 6 5 7 421 234 -1.686935002052
347 6 7 5 421 234 -1.686935002052
348 6 6 6 423 235 -0.2706456726569
349 6 6 7 424 236 -1.009811874317
350 6 7 6 424 236 -1.009811874317
351 6 7 7 426 237 2.077229265786
352 7 0 1 427 238 10.10821575585
353 7 1 0 427 238 10.10821575585
354 7 0 2 429 239 3.951204012012
355 7 2 0 429 239 3.951204012012
356 7 0 3 431 240 0.8374523636227
357 7 3 0 431 240 0.8374523636227
358 7 0 4 433 241 -11.14100574987
359 7 4 0 433 241 -11.14100574987
360 7 0 5 435 242 -5.174174326689
361 7 5 0 435 242 -5.174174326689
362 7 0 6 437 243 -5.465086826949
363 7 6 0 437 243 -5.465086826949
364 7 0 7 439 244 1.221633171859
365 7 7 0 439 244 1.221633171859
366 7 1 2 442 246 37.62674083265
367 7 2 1 442 246 37.62674083265
368 7 1 3 444 247 2.975517312733
369 7 3 1 444 247 2.975517312733
370 7 1 4 446 248 -7.08632341722
371 7 4 1 446 248 -7.08632341722
372 7 1 5 448 249 -16.79936339379
373 7 5 1 448 249 -16.79936339379
374 7 1 6 450 250 -4.14272530224
375 7 6 1 450 250 -4.14272530224
376 7 1 7 452 251 -9.376271131645
377 7 7 1 452 251 -9.376271131645
378 7 2 2 454 252 24.98620533655
379 7 2 3 455 253 24.08086396901
380 7 3 2 455 253 24.08086396901
381 7 2 5 459 255 5.466773895065
382 7 5 2 459 255 5.466773895065
383 7 2 6 461 256 1.866996195613
384 7 6 2 461 256 1.866996195613
385 7 2 7 463 257 3.94101272235
386 7 7 2 463 257 3.94101272235
387 7 3 3 465 258 5.622336358552
388 7 3 4 466 259 1.482267401383
389 7 4 3 466 259 1.482267401383
390 7 3 5 468 260 -7.894208475806
391 7 5 3 468 260 -7.894208475806
392 7 3 6 470 261 4.276939175105
393 7 6 3 470 261 4.276939175105
394 7 3 7 472 262 -8.170518049717
395 7 7 3 472 262 -8.170518049717
396 7 4 4 474 263 0.5704125388365
397 7 4 6 477 265 1.984107940033
398 7 6 4 477 265 1.984107940033
399 7 5 5 481 267 -11.92336042723
400 7 5 6 482 268 -0.8146731004229
401 7 6 5 482 268 -0.8146731004229
402 7 5 7 484 269 -7.799024421501
403 7 7 5 484 269 -7.799024421501
404 7 6 6 486 270 -0.9995661626064
405 7 6 7 487 271 -0.4045932734308
406 7 7 6 487 271 -0.4045932734308
407 7 7 7 489 272 -3.750430113672

TRIPLETTYPE PARAMS:
   INDEX: 8 ATOMS: N O O
PAIRS: NO NO OO UNIQUE: -1 TOTAL: 427
     index  |  powers  |  equiv index  |  param index  |       parameter       
   ----------------------------------------------------------------------------
0 0 1 1 0 0 7.492738192905
1 1 0 1 0 0 7.492738192905
2 0 1 2 2 1 -9.705516768803
3 1 0 2 2 1 -9.705516768803
4 0 1 3 4 2 -32.85849517602
5 1 0 3 4 2 -32.85849517602
6 0 1 4 6 3 -3.852252873846
7 1 0 4 6 3 -3.852252873846
8 0 1 5 8 4 -2.620205619208
9 1 0 5 8 4 -2.620205619208
10 0 1 6 10 5 11.18028034599
11 1 0 6 10 5 11.18028034599
12 0 1 7 12 6 -0.9798774296003
13 1 0 7 12 6 -0.9798774296003
14 0 2 1 14 7 -5.411238626631
15 2 0 1 14 7 -5.411238626631
16 0 2 2 16 8 -6.840640297734
17 2 0 2 16 8 -6.840640297734
18 0 2 3 18 9 -19.82125719278
19 2 0 3 18 9 -19.82125719278
20 0 2 4 20 10 -0.9046081590572
21 2 0 4 20 10 -0.9046081590572
22 0 2 5 22 11 1.604337901668
23 2 0 5 22 11 1.604337901668
24 0 2 6 24 12 8.854840525384
25 2 0 6 24 12 8.854840525384
26 0 2 7 26 13 6.249162136099
27 2 0 7 26 13 6.249162136099
28 0 3 1 28 14 0.925468513564
29 3 0 1 28 14 0.925468513564
30 0 3 2 30 15 -8.460868347234
31 3 0 2 30 15 -8.460868347234
32 0 3 3 32 16 -33.50050393335
33 3 0 3 32 16 -33.50050393335
34 0 3 4 34 17 -9.21874913991
35 3 0 4 34 17 -9.21874913991
36 0 3 5 36 18 -11.37233993777
37 3 0 5 36 18 -11.37233993777
38 0 3 6 38 19 4.76632033691
39 3 0 6 38 19 4.76632033691
40 0 4 1 42 21 35.83291038909
41 4 0 1 42 21 35.83291038909
42 0 4 2 44 22 -4.698300663951
43 4 0 2 44 22 -4.698300663951
44 0 4 3 46 23 -14.63142219205
45 4 0 3 46 23 -14.63142219205
46 0 4 4 48 24 -18.93896881986
47 4 0 4 48 24 -18.93896881986
48 0 4 5 50 25 -23.31651382562
49 4 0 5 50 25 -23.31651382562
50 0 4 6 52 26 -6.173826624305
51 4 0 6 52 26 -6.173826624305
52 0 4 7 54 27 -3.00399187507
53 4 0 7 54 27 -3.00399187507
54 0 5 1 56 28 4.077599854281
55 5 0 1 56 28 4.077599854281
56 0 5 2 58 29 14.93003603201
57 5 0 2 58 29 14.93003603201
58 0 5 4 62 31 7.375561257778
59 5 0 4 62 31 7.375561257778
60 0 5 5 64 32 -5.802134239066
61 5 0 5 64 32 -5.802134239066
62 0 5 6 66 33 -3.249686013614
63 5 0 6 66 33 -3.249686013614
64 0 5 7 68 34 -0.8837677377082
65 5 0 7 68 34 -0.8837677377082
66 0 6 1 70 35 -2.042812453018
67 6 0 1 70 35 -2.042812453018
68 0 6 2 72 36 3.122392588963
69 6 0 2 72 36 3.122392588963
70 0 6 3 74 37 -0.7011980348981
71 6 0 3 74 37 -0.7011980348981
72 0 6 5 78 39 0.06158789890719
73 6 0 5 78 39 0.06158789890719
74 0 6 6 80 40 -2.268672564478
75 6 0 6 80 40 -2.268672564478
76 0 6 7 82 41 0.174486684943
77 6 0 7 82 41 0.174486684943
78 0 7 1 84 42 -27.45239795014
79 7 0 1 84 42 -27.45239795014
80 0 7 2 86 43 6.832934093356
81 7 0 2 86 43 6.832934093356
82 0 7 3 88 44 -4.304470200019
83 7 0 3 88 44 -4.304470200019
84 0 7 4 90 45 4.205451986925
85 7 0 4 90 45 4.205451986925
86 0 7 6 94 47 -2.131145755998
87 7 0 6 94 47 -2.131145755998
88 0 7 7 96 48 -0.1990286268211
89 7 0 7 96 48 -0.1990286268211
90 1 1 2 100 51 -35.55420606596
91 1 1 3 101 52 -68.49020010027
92 1 1 4 102 53 -26.87436176845
93 1 1 6 104 55 47.60366609284
94 1 1 7 105 56 22.06114457102
95 1 2 0 106 57 -66.55504331886
96 2 1 0 106 57 -66.55504331886
97 1 2 1 108 58 2.719498478697
98 2 1 1 108 58 2.719498478697
99 1 2 2 110 59 -53.5955559916
100 2 1 2 110 59 -53.5955559916
101 1 2 4 114 61 4.600469493348
102 2 1 4 114 61 4.600469493348
103 1 2 5 116 62 8.319672647581
104 2 1 5 116 62 8.319672647581
105 1 2 7 120 64 -0.8306903862484
106 2 1 7 120 64 -0.8306903862484
107 1 3 0 122 65 -34.77571808346
108 3 1 0 122 65 -34.77571808346
109 1 3 1 124 66 38.60939291863
110 3 1 1 124 66 38.60939291863
111 1 3 3 128 68 -5.126256450855
112 3 1 3 128 68 -5.126256450855
113 1 3 4 130 69 14.66072119825
114 3 1 4 130 69 14.66072119825
115 1 3 5 132 70 -18.48619842636
116 3 1 5 132 70 -18.48619842636
117 1 3 6 134 71 11.91310679583
118 3 1 6 134 71 11.91310679583
119 1 3 7 136 72 0.1138607591951
120 3 1 7 136 72 0.1138607591951
121 1 4 0 138 73 -11.99902414973
122 4 1 0 138 73 -11.99902414973
123 1 4 1 140 74 62.31057588282
124 4 1 1 140 74 62.31057588282
125 1 4 2 142 75 4.819048435233
126 4 1 2 142 75 4.819048435233
127 1 4 3 144 76 -2.608180573879
128 4 1 3 144 76 -2.608180573879
129 1 4 4 146 77 -16.56572833948
130 4 1 4 146 77 -16.56572833948
131 1 4 5 148 78 -42.74921624038
132 4 1 5 148 78 -42.74921624038
133 1 4 6 150 79 -30.00946114204
134 4 1 6 150 79 -30.00946114204
135 1 4 7 152 80 -12.60993052484
136 4 1 7 152 80 -12.60993052484
137 1 5 0 154 81 -5.780811007962
138 5 1 0 154 81 -5.780811007962
139 1 5 1 156 82 54.89059741679
140 5 1 1 156 82 54.89059741679
141 1 5 2 158 83 24.95457230815
142 5 1 2 158 83 24.95457230815
143 1 5 3 160 84 20.85945018257
144 5 1 3 160 84 20.85945018257
145 1 5 4 162 85 19.01683366942
146 5 1 4 162 85 19.01683366942
147 1 5 5 164 86 -2.666275198705
148 5 1 5 164 86 -2.666275198705
149 1 5 6 166 87 0.9580234834961
150 5 1 6 166 87 0.9580234834961
151 1 6 0 170 89 -12.59632139541
152 6 1 0 170 89 -12.59632139541
153 1 6 1 172 90 -22.29141606212
154 6 1 1 172 90 -22.29141606212
155 1 6 5 180 94 5.052735301082
156 6 1 5 180 94 5.052735301082
157 1 6 6 182 95 -10.29080278335
158 6 1 6 182 95 -10.29080278335
159 1 6 7 184 96 6.240259555321
160 6 1 7 184 96 6.240259555321
161 1 7 0 186 97 -9.29802588551
162 7 1 0 186 97 -9.29802588551
163 1 7 1 188 98 -39.51377319225
164 7 1 1 188 98 -39.51377319225
165 1 7 3 192 100 -0.02632808540697
166 7 1 3 192 100 -0.02632808540697
167 1 7 4 194 101 10.77980040833
168 7 1 4 194 101 10.77980040833
169 1 7 5 196 102 11.98577545405
170 7 1 5 196 102 11.98577545405
171 1 7 7 200 104 1.347610004185
172 7 1 7 200 104 1.347610004185
173 2 2 0 202 105 -1.543240326978
174 2 2 2 204 107 -13.32177618993
175 2 2 3 205 108 -12.23671844352
176 2 2 5 207 110 36.89725849159
177 2 2 6 208 111 24.3967896686
178 2 2 7 209 112 28.25778777187
179 2 3 0 210 113 -26.47562949687
180 3 2 0 210 113 -26.47562949687
181 2 3 1 212 114 -27.38539352955
182 3 2 1 212 114 -27.38539352955
183 2 3 3 216 116 4.334557144934
184 3 2 3 216 116 4.334557144934
185 2 3 4 218 117 17.41946545173
186 3 2 4 218 117 17.41946545173
187 2 3 5 220 118 14.03027632598
188 3 2 5 220 118 14.03027632598
189 2 3 7 224 120 7.515058913695
190 3 2 7 224 120 7.515058913695
191 2 4 0 226 121 -2.183642688455
192 4 2 0 226 121 -2.183642688455
193 2 4 1 228 122 35.34141807563
194 4 2 1 228 122 35.34141807563
195 2 4 3 232 124 -4.509189135316
196 4 2 3 232 124 -4.509189135316
197 2 4 4 234 125 -16.12018556696
198 4 2 4 234 125 -16.12018556696
199 2 4 6 238 127 -1.553448077814
200 4 2 6 238 127 -1.553448077814
201 2 4 7 240 128 11.22740868784
202 4 2 7 240 128 11.22740868784
203 2 5 0 242 129 -18.65668868521
204 5 2 0 242 129 -18.65668868521
205 2 5 1 244 130 -30.7928138978
206 5 2 1 244 130 -30.7928138978
207 2 5 2 246 131 23.80468619417
208 5 2 2 246 131 23.80468619417
209 2 5 3 248 132 18.96357960809
210 5 2 3 248 132 18.96357960809
211 2 5 4 250 133 22.39831413257
212 5 2 4 250 133 22.39831413257
213 2 5 5 252 134 4.594134426579
214 5 2 5 252 134 4.594134426579
215 2 5 6 254 135 -11.62048591948
216 5 2 6 254 135 -11.62048591948
217 2 5 7 256 136 1.399217401858
218 5 2 7 256 136 1.399217401858
219 2 6 0 258 137 -17.16169212657
220 6 2 0 258 137 -17.16169212657
221 2 6 2 262 139 -15.30878444579
222 6 2 2 262 139 -15.30878444579
223 2 6 3 264 140 15.66197347564
224 6 2 3 264 140 15.66197347564
225 2 6 4 266 141 -8.583055732724
226 6 2 4 266 141 -8.583055732724
227 2 6 5 268 142 13.25364010256
228 6 2 5 268 142 13.25364010256
229 2 6 6 270 143 -6.737326307975
230 6 2 6 270 143 -6.737326307975
231 2 6 7 272 144 3.994719497574
232 6 2 7 272 144 3.994719497574
233 2 7 0 274 145 -8.587770457065
234 7 2 0 274 145 -8.587770457065
235 2 7 1 276 146 -43.31641040581
236 7 2 1 276 146 -43.31641040581
237 2 7 2 278 147 5.503123192528
238 7 2 2 278 147 5.503123192528
239 2 7 3 280 148 -1.066918753786
240 7 2 3 280 148 -1.066918753786
241 2 7 4 282 149 4.639226389685
242 7 2 4 282 149 4.639226389685
243 2 7 5 284 150 -2.587992624725
244 7 2 5 284 150 -2.587992624725
245 2 7 6 286 151 -7.906955284728
246 7 2 6 286 151 -7.906955284728
247 2 7 7 288 152 -2.517438544016
248 7 2 7 288 152 -2.517438544016
249 3 3 0 290 153 -24.20243553259
250 3 3 1 291 154 -2.347576928171
251 3 3 2 292 155 55.34817889414
252 3 3 3 293 156 32.30221312789
253 3 3 4 294 157 55.88295685047
254 3 3 6 296 159 -1.316171712886
255 3 3 7 297 160 0.8029098483617
256 3 4 0 298 161 0.7593459323696
257 4 3 0 298 161 0.7593459323696
258 3 4 1 300 162 -8.888765340356
259 4 3 1 300 162 -8.888765340356
260 3 4 2 302 163 25.94969397985
261 4 3 2 302 163 25.94969397985
262 3 4 5 308 166 -4.170881486826
263 4 3 5 308 166 -4.170881486826
264 3 4 6 310 167 -19.97843777807
265 4 3 6 310 167 -19.97843777807
266 3 4 7 312 168 5.167824554795
267 4 3 7 312 168 5.167824554795
268 3 5 0 314 169 -6.952659047412
269 5 3 0 314 169 -6.952659047412
270 3 5 2 318 171 27.52973681298
271 5 3 2 318 171 27.52973681298
272 3 5 3 320 172 12.92662378549
273 5 3 3 320 172 12.92662378549
274 3 5 4 322 173 12.01782579248
275 5 3 4 322 173 12.01782579248
276 3 5 5 324 174 -0.3673460762276
277 5 3 5 324 174 -0.3673460762276
278 3 5 6 326 175 -12.41447933062
279 5 3 6 326 175 -12.41447933062
280 3 5 7 328 176 1.227827602605
281 5 3 7 328 176 1.227827602605
282 3 6 0 330 177 -12.88942097927
283 6 3 0 330 177 -12.88942097927
284 3 6 1 332 178 -17.82289569951
285 6 3 1 332 178 -17.82289569951
286 3 6 2 334 179 -8.691202979237
287 6 3 2 334 179 -8.691202979237
288 3 6 3 336 180 5.900142725934
289 6 3 3 336 180 5.900142725934
290 3 6 4 338 181 -12.80802711968
291 6 3 4 338 181 -12.80802711968
292 3 6 5 340 182 8.583030495077
293 6 3 5 340 182 8.583030495077
294 3 6 6 342 183 -13.63198054417
295 6 3 6 342 183 -13.63198054417
296 3 6 7 344 184 6.873666900973
297 6 3 7 344 184 6.873666900973
298 3 7 0 346 185 -8.013566611857
299 7 3 0 346 185 -8.013566611857
300 3 7 1 348 186 -20.15870758852
301 7 3 1 348 186 -20.15870758852
302 3 7 2 350 187 -0.1704758921859
303 7 3 2 350 187 -0.1704758921859
304 3 7 3 352 188 1.092446197633
305 7 3 3 352 188 1.092446197633
306 3 7 4 354 189 2.52129804038
307 7 3 4 354 189 2.52129804038
308 3 7 5 356 190 1.876164064299
309 7 3 5 356 190 1.876164064299
310 3 7 6 358 191 -5.762692404996
311 7 3 6 358 191 -5.762692404996
312 3 7 7 360 192 -1.741150250929
313 7 3 7 360 192 -1.741150250929
314 4 4 0 362 193 7.285537192561
315 4 4 2 364 195 14.59095792677
316 4 4 3 365 196 -5.905425045776
317 4 4 4 366 197 -16.21727131476
318 4 4 5 367 198 3.298752501687
319 4 4 6 368 199 -10.49058054174
320 4 4 7 369 200 9.74085331832
321 4 5 1 372 202 -18.50212963345
322 5 4 1 372 202 -18.50212963345
323 4 5 2 374 203 14.69723598733
324 5 4 2 374 203 14.69723598733
325 4 5 4 378 205 -14.14979697918
326 5 4 4 378 205 -14.14979697918
327 4 5 5 380 206 -7.182430844972
328 5 4 5 380 206 -7.182430844972
329 4 5 6 382 207 -24.04290653249
330 5 4 6 382 207 -24.04290653249
331 4 5 7 384 208 1.58052726498
332 5 4 7 384 208 1.58052726498
333 4 6 0 386 209 -6.845480257974
334 6 4 0 386 209 -6.845480257974
335 4 6 1 388 210 14.51817495842
336 6 4 1 388 210 14.51817495842
337 4 6 2 390 211 -10.60793291631
338 6 4 2 390 211 -10.60793291631
339 4 6 3 392 212 13.23966217783
340 6 4 3 392 212 13.23966217783
341 4 6 4 394 213 -19.29998262493
342 6 4 4 394 213 -19.29998262493
343 4 6 5 396 214 5.723713046573
344 6 4 5 396 214 5.723713046573
345 4 6 6 398 215 -11.84466391367
346 6 4 6 398 215 -11.84466391367
347 4 6 7 400 216 2.385904622879
348 6 4 7 400 216 2.385904622879
349 4 7 0 402 217 -4.980912572287
350 7 4 0 402 217 -4.980912572287
351 4 7 1 404 218 -7.834886943246
352 7 4 1 404 218 -7.834886943246
353 4 7 2 406 219 -4.506415525829
354 7 4 2 406 219 -4.506415525829
355 4 7 4 410 221 -11.16032394111
356 7 4 4 410 221 -11.16032394111
357 4 7 5 412 222 -5.724837326613
358 7 4 5 412 222 -5.724837326613
359 4 7 6 414 223 -10.68736828013
360 7 4 6 414 223 -10.68736828013
361 4 7 7 416 224 -1.836239520695
362 7 4 7 416 224 -1.836239520695
363 5 5 0 418 225 3.927183966322
364 5 5 1 419 226 12.9374085478
365 5 5 3 421 228 -8.016842238251
366 5 5 4 422 229 -28.06631335844
367 5 5 5 423 230 -10.86308225631
368 5 5 6 424 231 -19.63241305708
369 5 6 1 428 234 6.619647807591
370 6 5 1 428 234 6.619647807591
371 5 6 2 430 235 -2.58875020652
372 6 5 2 430 235 -2.58875020652
373 5 6 3 432 236 3.774418582062
374 6 5 3 432 236 3.774418582062
375 5 6 4 434 237 -18.14677947302
376 6 5 4 434 237 -18.14677947302
377 5 6 5 436 238 -2.19725238607
378 6 5 5 436 238 -2.19725238607
379 5 6 6 438 239 -13.68749872822
380 6 5 6 438 239 -13.68749872822
381 5 6 7 440 240 1.663419219098
382 6 5 7 440 240 1.663419219098
383 5 7 0 442 241 1.414905723078
384 7 5 0 442 241 1.414905723078
385 5 7 1 444 242 5.238196615371
386 7 5 1 444 242 5.238196615371
387 5 7 2 446 243 -2.181253206747
388 7 5 2 446 243 -2.181253206747
389 5 7 3 448 244 -1.139419928713
390 7 5 3 448 244 -1.139419928713
391 5 7 4 450 245 -9.482634848148
392 7 5 4 450 245 -9.482634848148
393 5 7 5 452 246 -1.17319177772
394 7 5 5 452 246 -1.17319177772
395 5 7 6 454 247 -6.078305120069
396 7 5 6 454 247 -6.078305120069
397 5 7 7 456 248 -0.09020959227967
398 7 5 7 456 248 -0.09020959227967
399 6 6 0 458 249 -1.359097716759
400 6 6 1 459 250 20.22397537619
401 6 6 2 460 251 -5.689119747672
402 6 6 3 461 252 10.94346108862
403 6 6 4 462 253 -11.8986442468
404 6 6 5 463 254 1.933303803146
405 6 6 6 464 255 -6.740700110758
406 6 6 7 465 256 0.07619000901983
407 6 7 1 468 258 8.232557079551
408 7 6 1 468 258 8.232557079551
409 6 7 2 470 259 -2.444043353672
410 7 6 2 470 259 -2.444043353672
411 6 7 3 472 260 4.690252472347
412 7 6 3 472 260 4.690252472347
413 6 7 4 474 261 -7.68006474331
414 7 6 4 474 261 -7.68006474331
415 6 7 6 478 263 -5.093868314876
416 7 6 6 478 263 -5.093868314876
417 6 7 7 480 264 0.4318127568363
418 7 6 7 480 264 0.4318127568363
419 7 7 0 482 265 3.048449598901
420 7 7 1 483 266 4.462280510018
421 7 7 2 484 267 2.556467764287
422 7 7 3 485 268 2.29212711411
423 7 7 4 486 269 -1.480074532334
424 7 7 5 487 270 1.973353602392
425 7 7 6 488 271 -1.262021749745
426 7 7 7 489 272 0.6492179626092

TRIPLETTYPE PARAMS:
   INDEX: 9 ATOMS: O O O
PAIRS: OO OO OO UNIQUE: -1 TOTAL: 395
     index  |  powers  |  equiv index  |  param index  |       parameter       
   ----------------------------------------------------------------------------
0 0 1 1 0 0 43.09391346426
1 1 0 1 0 0 43.09391346426
2 1 1 0 0 0 43.09391346426
3 0 1 2 3 1 -7.158385827808
4 1 0 2 3 1 -7.158385827808
5 0 2 1 3 1 -7.158385827808
6 2 0 1 3 1 -7.158385827808
7 1 2 0 3 1 -7.158385827808
8 2 1 0 3 1 -7.158385827808
9 0 1 4 15 3 10.5623244125
10 1 0 4 15 3 10.5623244125
11 0 4 1 15 3 10.5623244125
12 4 0 1 15 3 10.5623244125
13 1 4 0 15 3 10.5623244125
14 4 1 0 15 3 10.5623244125
15 0 1 7 33 6 -5.429512396655
16 1 0 7 33 6 -5.429512396655
17 0 7 1 33 6 -5.429512396655
18 7 0 1 33 6 -5.429512396655
19 1 7 0 33 6 -5.429512396655
20 7 1 0 33 6 -5.429512396655
21 0 2 2 39 7 -19.05928608525
22 2 0 2 39 7 -19.05928608525
23 2 2 0 39 7 -19.05928608525
24 0 2 3 42 8 -15.7665173346
25 2 0 3 42 8 -15.7665173346
26 0 3 2 42 8 -15.7665173346
27 3 0 2 42 8 -15.7665173346
28 2 3 0 42 8 -15.7665173346
29 3 2 0 42 8 -15.7665173346
30 0 2 4 48 9 -0.6371576569621
31 2 0 4 48 9 -0.6371576569621
32 0 4 2 48 9 -0.6371576569621
33 4 0 2 48 9 -0.6371576569621
34 2 4 0 48 9 -0.6371576569621
35 4 2 0 48 9 -0.6371576569621
36 0 2 5 54 10 1.665933563465
37 2 0 5 54 10 1.665933563465
38 0 5 2 54 10 1.665933563465
39 5 0 2 54 10 1.665933563465
40 2 5 0 54 10 1.665933563465
41 5 2 0 54 10 1.665933563465
42 0 2 6 60 11 9.008373570605
43 2 0 6 60 11 9.008373570605
44 0 6 2 60 11 9.008373570605
45 6 0 2 60 11 9.008373570605
46 2 6 0 60 11 9.008373570605
47 6 2 0 60 11 9.008373570605
48 0 2 7 66 12 -1.750846744366
49 2 0 7 66 12 -1.750846744366
50 0 7 2 66 12 -1.750846744366
51 7 0 2 66 12 -1.750846744366
52 2 7 0 66 12 -1.750846744366
53 7 2 0 66 12 -1.750846744366
54 0 3 3 72 13 -14.25472680722
55 3 0 3 72 13 -14.25472680722
56 3 3 0 72 13 -14.25472680722
57 0 3 4 75 14 13.07195625451
58 3 0 4 75 14 13.07195625451
59 0 4 3 75 14 13.07195625451
60 4 0 3 75 14 13.07195625451
61 3 4 0 75 14 13.07195625451
62 4 3 0 75 14 13.07195625451
63 0 3 5 81 15 7.452748484593
64 3 0 5 81 15 7.452748484593
65 0 5 3 81 15 7.452748484593
66 5 0 3 81 15 7.452748484593
67 3 5 0 81 15 7.452748484593
68 5 3 0 81 15 7.452748484593
69 0 3 6 87 16 12.78302190203
70 3 0 6 87 16 12.78302190203
71 0 6 3 87 16 12.78302190203
72 6 0 3 87 16 12.78302190203
73 3 6 0 87 16 12.78302190203
74 6 3 0 87 16 12.78302190203
75 0 3 7 93 17 -1.820653454819
76 3 0 7 93 17 -1.820653454819
77 0 7 3 93 17 -1.820653454819
78 7 0 3 93 17 -1.820653454819
79 3 7 0 93 17 -1.820653454819
80 7 3 0 93 17 -1.820653454819
81 0 4 4 99 18 5.991060571909
82 4 0 4 99 18 5.991060571909
83 4 4 0 99 18 5.991060571909
84 0 4 5 102 19 9.928678986736
85 4 0 5 102 19 9.928678986736
86 0 5 4 102 19 9.928678986736
87 5 0 4 102 19 9.928678986736
88 4 5 0 102 19 9.928678986736
89 5 4 0 102 19 9.928678986736
90 0 4 6 108 20 7.038302324627
91 4 0 6 108 20 7.038302324627
92 0 6 4 108 20 7.038302324627
93 6 0 4 108 20 7.038302324627
94 4 6 0 108 20 7.038302324627
95 6 4 0 108 20 7.038302324627
96 0 4 7 114 21 2.95830737389
97 4 0 7 114 21 2.95830737389
98 0 7 4 114 21 2.95830737389
99 7 0 4 114 21 2.95830737389
100 4 7 0 114 21 2.95830737389
101 7 4 0 114 21 2.95830737389
102 0 5 6 123 23 4.179043166839
103 5 0 6 123 23 4.179043166839
104 0 6 5 123 23 4.179043166839
105 6 0 5 123 23 4.179043166839
106 5 6 0 123 23 4.179043166839
107 6 5 0 123 23 4.179043166839
108 0 5 7 129 24 -4.785105028293
109 5 0 7 129 24 -4.785105028293
110 0 7 5 129 24 -4.785105028293
111 7 0 5 129 24 -4.785105028293
112 5 7 0 129 24 -4.785105028293
113 7 5 0 129 24 -4.785105028293
114 0 6 6 135 25 0.1856149100864
115 6 0 6 135 25 0.1856149100864
116 6 6 0 135 25 0.1856149100864
117 0 6 7 138 26 2.747500763759
118 6 0 7 138 26 2.747500763759
119 0 7 6 138 26 2.747500763759
120 7 0 6 138 26 2.747500763759
121 6 7 0 138 26 2.747500763759
122 7 6 0 138 26 2.747500763759
123 0 7 7 144 27 -4.605053185952
124 7 0 7 144 27 -4.605053185952
125 7 7 0 144 27 -4.605053185952
126 1 1 3 151 30 -52.41399711593
127 1 3 1 151 30 -52.41399711593
128 3 1 1 151 30 -52.41399711593
129 1 1 5 157 32 2.682701757507
130 1 5 1 157 32 2.682701757507
131 5 1 1 157 32 2.682701757507
132 1 1 6 160 33 7.175485080088
133 1 6 1 160 33 7.175485080088
134 6 1 1 160 33 7.175485080088
135 1 2 3 169 36 -0.4411722540158
136 2 1 3 169 36 -0.4411722540158
137 1 3 2 169 36 -0.4411722540158
138 3 1 2 169 36 -0.4411722540158
139 2 3 1 169 36 -0.4411722540158
140 3 2 1 169 36 -0.4411722540158
141 1 2 4 175 37 1.007654043956
142 2 1 4 175 37 1.007654043956
143 1 4 2 175 37 1.007654043956
144 4 1 2 175 37 1.007654043956
145 2 4 1 175 37 1.007654043956
146 4 2 1 175 37 1.007654043956
147 1 2 5 181 38 -10.81646490759
148 2 1 5 181 38 -10.81646490759
149 1 5 2 181 38 -10.81646490759
150 5 1 2 181 38 -10.81646490759
151 2 5 1 181 38 -10.81646490759
152 5 2 1 181 38 -10.81646490759
153 1 2 6 187 39 -16.68924302006
154 2 1 6 187 39 -16.68924302006
155 1 6 2 187 39 -16.68924302006
156 6 1 2 187 39 -16.68924302006
157 2 6 1 187 39 -16.68924302006
158 6 2 1 187 39 -16.68924302006
159 1 3 3 199 41 -1.759130208264
160 3 1 3 199 41 -1.759130208264
161 3 3 1 199 41 -1.759130208264
162 1 3 4 202 42 12.73916351251
163 3 1 4 202 42 12.73916351251
164 1 4 3 202 42 12.73916351251
165 4 1 3 202 42 12.73916351251
166 3 4 1 202 42 12.73916351251
167 4 3 1 202 42 12.73916351251
168 1 3 6 214 44 -12.32746321475
169 3 1 6 214 44 -12.32746321475
170 1 6 3 214 44 -12.32746321475
171 6 1 3 214 44 -12.32746321475
172 3 6 1 214 44 -12.32746321475
173 6 3 1 214 44 -12.32746321475
174 1 4 4 226 46 -4.470977330444
175 4 1 4 226 46 -4.470977330444
176 4 4 1 226 46 -4.470977330444
177 1 4 6 235 48 -6.230406107877
178 4 1 6 235 48 -6.230406107877
179 1 6 4 235 48 -6.230406107877
180 6 1 4 235 48 -6.230406107877
181 4 6 1 235 48 -6.230406107877
182 6 4 1 235 48 -6.230406107877
183 1 4 7 241 49 0.6281054263737
184 4 1 7 241 49 0.6281054263737
185 1 7 4 241 49 0.6281054263737
186 7 1 4 241 49 0.6281054263737
187 4 7 1 241 49 0.6281054263737
188 7 4 1 241 49 0.6281054263737
189 1 5 5 247 50 -10.30372039531
190 5 1 5 247 50 -10.30372039531
191 5 5 1 247 50 -10.30372039531
192 1 5 6 250 51 -8.513914701018
193 5 1 6 250 51 -8.513914701018
194 1 6 5 250 51 -8.513914701018
195 6 1 5 250 51 -8.513914701018
196 5 6 1 250 51 -8.513914701018
197 6 5 1 250 51 -8.513914701018
198 1 6 6 262 53 4.983007366183
199 6 1 6 262 53 4.983007366183
200 6 6 1 262 53 4.983007366183
201 1 6 7 265 54 -6.45593303596
202 6 1 7 265 54 -6.45593303596
203 1 7 6 265 54 -6.45593303596
204 7 1 6 265 54 -6.45593303596
205 6 7 1 265 54 -6.45593303596
206 7 6 1 265 54 -6.45593303596
207 1 7 7 271 55 5.383210098116
208 7 1 7 271 55 5.383210098116
209 7 7 1 271 55 5.383210098116
210 2 2 2 274 56 -96.80382992723
211 2 2 3 275 57 -37.8907410136
212 2 3 2 275 57 -37.8907410136
213 3 2 2 275 57 -37.8907410136
214 2 2 4 278 58 -26.69186276599
215 2 4 2 278 58 -26.69186276599
216 4 2 2 278 58 -26.69186276599
217 2 2 5 281 59 6.570671205305
218 2 5 2 281 59 6.570671205305
219 5 2 2 281 59 6.570671205305
220 2 2 6 284 60 19.31056466986
221 2 6 2 284 60 19.31056466986
222 6 2 2 284 60 19.31056466986
223 2 2 7 287 61 -9.270178229481
224 2 7 2 287 61 -9.270178229481
225 7 2 2 287 61 -9.270178229481
226 2 3 4 293 63 -5.883178897262
227 3 2 4 293 63 -5.883178897262
228 2 4 3 293 63 -5.883178897262
229 4 2 3 293 63 -5.883178897262
230 3 4 2 293 63 -5.883178897262
231 4 3 2 293 63 -5.883178897262
232 2 3 5 299 64 6.280650935823
233 3 2 5 299 64 6.280650935823
234 2 5 3 299 64 6.280650935823
235 5 2 3 299 64 6.280650935823
236 3 5 2 299 64 6.280650935823
237 5 3 2 299 64 6.280650935823
238 2 3 6 305 65 2.853482125292
239 3 2 6 305 65 2.853482125292
240 2 6 3 305 65 2.853482125292
241 6 2 3 305 65 2.853482125292
242 3 6 2 305 65 2.853482125292
243 6 3 2 305 65 2.853482125292
244 2 4 5 320 68 5.65964304171
245 4 2 5 320 68 5.65964304171
246 2 5 4 320 68 5.65964304171
247 5 2 4 320 68 5.65964304171
248 4 5 2 320 68 5.65964304171
249 5 4 2 320 68 5.65964304171
250 2 4 6 326 69 13.39737236871
251 4 2 6 326 69 13.39737236871
252 2 6 4 326 69 13.39737236871
253 6 2 4 326 69 13.39737236871
254 4 6 2 326 69 13.39737236871
255 6 4 2 326 69 13.39737236871
256 2 4 7 332 70 -3.804361748725
257 4 2 7 332 70 -3.804361748725
258 2 7 4 332 70 -3.804361748725
259 7 2 4 332 70 -3.804361748725
260 4 7 2 332 70 -3.804361748725
261 7 4 2 332 70 -3.804361748725
262 2 5 5 338 71 -13.31779408406
263 5 2 5 338 71 -13.31779408406
264 5 5 2 338 71 -13.31779408406
265 2 5 7 347 73 -8.052544369465
266 5 2 7 347 73 -8.052544369465
267 2 7 5 347 73 -8.052544369465
268 7 2 5 347 73 -8.052544369465
269 5 7 2 347 73 -8.052544369465
270 7 5 2 347 73 -8.052544369465
271 2 6 6 353 74 1.048657089651
272 6 2 6 353 74 1.048657089651
273 6 6 2 353 74 1.048657089651
274 2 6 7 356 75 2.91895781901
275 6 2 7 356 75 2.91895781901
276 2 7 6 356 75 2.91895781901
277 7 2 6 356 75 2.91895781901
278 6 7 2 356 75 2.91895781901
279 7 6 2 356 75 2.91895781901
280 2 7 7 362 76 -5.780252673397
281 7 2 7 362 76 -5.780252673397
282 7 7 2 362 76 -5.780252673397
283 3 3 3 365 77 61.61684003502
284 3 3 4 366 78 15.01352313785
285 3 4 3 366 78 15.01352313785
286 4 3 3 366 78 15.01352313785
287 3 3 5 369 79 10.71383980339
288 3 5 3 369 79 10.71383980339
289 5 3 3 369 79 10.71383980339
290 3 3 6 372 80 -15.20426797573
291 3 6 3 372 80 -15.20426797573
292 6 3 3 372 80 -15.20426797573
293 3 3 7 375 81 0.4764828856617
294 3 7 3 375 81 0.4764828856617
295 7 3 3 375 81 0.4764828856617
296 3 4 4 378 82 -3.794304329289
297 4 3 4 378 82 -3.794304329289
298 4 4 3 378 82 -3.794304329289
299 3 4 5 381 83 6.812198144588
300 4 3 5 381 83 6.812198144588
301 3 5 4 381 83 6.812198144588
302 5 3 4 381 83 6.812198144588
303 4 5 3 381 83 6.812198144588
304 5 4 3 381 83 6.812198144588
305 3 4 6 387 84 1.69677218769
306 4 3 6 387 84 1.69677218769
307 3 6 4 387 84 1.69677218769
308 6 3 4 387 84 1.69677218769
309 4 6 3 387 84 1.69677218769
310 6 4 3 387 84 1.69677218769
311 3 4 7 393 85 -0.3966074018607
312 4 3 7 393 85 -0.3966074018607
313 3 7 4 393 85 -0.3966074018607
314 7 3 4 393 85 -0.3966074018607
315 4 7 3 393 85 -0.3966074018607
316 7 4 3 393 85 -0.3966074018607
317 3 5 5 399 86 -6.548362012803
318 5 3 5 399 86 -6.548362012803
319 5 5 3 399 86 -6.548362012803
320 3 5 6 402 87 -3.740055691744
321 5 3 6 402 87 -3.740055691744
322 3 6 5 402 87 -3.740055691744
323 6 3 5 402 87 -3.740055691744
324 5 6 3 402 87 -3.740055691744
325 6 5 3 402 87 -3.740055691744
326 3 6 6 414 89 5.278900096408
327 6 3 6 414 89 5.278900096408
328 6 6 3 414 89 5.278900096408
329 3 6 7 417 90 -3.088773311459
330 6 3 7 417 90 -3.088773311459
331 3 7 6 417 90 -3.088773311459
332 7 3 6 417 90 -3.088773311459
333 6 7 3 417 90 -3.088773311459
334 7 6 3 417 90 -3.088773311459
335 3 7 7 423 91 4.076974776106
336 7 3 7 423 91 4.076974776106
337 7 7 3 423 91 4.076974776106
338 4 4 4 426 92 3.779911310495
339 4 4 5 427 93 -2.368009034171
340 4 5 4 427 93 -2.368009034171
341 5 4 4 427 93 -2.368009034171
342 4 4 6 430 94 6.008392605741
343 4 6 4 430 94 6.008392605741
344 6 4 4 430 94 6.008392605741
345 4 4 7 433 95 -3.387367457377
346 4 7 4 433 95 -3.387367457377
347 7 4 4 433 95 -3.387367457377
348 4 5 5 436 96 -6.600435416966
349 5 4 5 436 96 -6.600435416966
350 5 5 4 436 96 -6.600435416966
351 4 5 6 439 97 -1.931392232957
352 5 4 6 439 97 -1.931392232957
353 4 6 5 439 97 -1.931392232957
354 6 4 5 439 97 -1.931392232957
355 5 6 4 439 97 -1.931392232957
356 6 5 4 439 97 -1.931392232957
357 4 5 7 445 98 -3.899922084967
358 5 4 7 445 98 -3.899922084967
359 4 7 5 445 98 -3.899922084967
360 7 4 5 445 98 -3.899922084967
361 5 7 4 445 98 -3.899922084967
362 7 5 4 445 98 -3.899922084967
363 4 6 7 454 100 2.019261946071
364 6 4 7 454 100 2.019261946071
365 4 7 6 454 100 2.019261946071
366 7 4 6 454 100 2.019261946071
367 6 7 4 454 100 2.019261946071
368 7 6 4 454 100 2.019261946071
369 4 7 7 460 101 -2.815119684128
370 7 4 7 460 101 -2.815119684128
371 7 7 4 460 101 -2.815119684128
372 5 5 7 467 104 2.530512677691
373 5 7 5 467 104 2.530512677691
374 7 5 5 467 104 2.530512677691
375 5 6 6 470 105 0.7357807844039
376 6 5 6 470 105 0.7357807844039
377 6 6 5 470 105 0.7357807844039
378 5 6 7 473 106 -1.076453610566
379 6 5 7 473 106 -1.076453610566
380 5 7 6 473 106 -1.076453610566
381 7 5 6 473 106 -1.076453610566
382 6 7 5 473 106 -1.076453610566
383 7 6 5 473 106 -1.076453610566
384 5 7 7 479 107 1.882389942106
385 7 5 7 479 107 1.882389942106
386 7 7 5 479 107 1.882389942106
387 6 6 6 482 108 -0.5337095928529
388 6 6 7 483 109 1.404519403587
389 6 7 6 483 109 1.404519403587
390 7 6 6 483 109 1.404519403587
391 6 7 7 486 110 -1.574329601324
392 7 6 7 486 110 -1.574329601324
393 7 7 6 486 110 -1.574329601324
394 7 7 7 489 111 -0.2005911279024

QUADRUPLET CHEBYSHEV PARAMS 


PAIRMAPS: 9
0 CC
3 CN
4 CO
3 NC
1 NN
5 NO
4 OC
5 ON
2 OO

TRIPMAPS: 27
0 CCCCCC
1 CCCNCN
2 CCCOCO
1 CNCCCN
1 CNCNCC
3 CNCNNN
4 CNCONO
3 CNNNCN
4 CNNOCO
2 COCCCO
4 COCNNO
2 COCOCC
5 COCOOO
4 CONOCN
5 COOOCO
3 NNCNCN
6 NNNNNN
7 NNNONO
4 NOCNCO
4 NOCOCN
7 NONNNO
7 NONONN
8 NONOOO
8 NOOONO
5 OOCOCO
8 OONONO
9 OOOOOO

NO ENERGY OFFSETS:  3
ENERGY OFFSET 1 0.0
ENERGY OFFSET 2 3908.19887304
ENERGY OFFSET 3 0.0
ENDFILE
