! <DOI goes here>
!
! WARNING: This force field is only intended for use with DNTF 300-9000 K and 1.86 - 3.6 gcc
! WARNING: This force field comes with no guarantees
!
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: 1.0E5

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 -19.35004914523
1 9.986431698699
2 -6.549251490272
3 2.849085485253
4 -0.8832971896384
5 3.216689959612
6 -2.56137923896
7 2.129904750053
8 -0.6523923025974
9 1.140905797045
10 -0.7252473544367
11 0.7572330507348
 
PAIRTYPE PARAMS: 1 N N

0 1.568310984213
1 13.68392778211
2 0.1480008646063
3 -6.434922821475
4 6.545263156963
5 1.311643896061
6 -0.1351094041772
7 -0.7992336845216
8 2.808871188742
9 -2.188918866657
10 0.7892745663042
11 -0.01728284477028
 
PAIRTYPE PARAMS: 2 O O

0 -34.13488325398
1 19.90932922346
2 -5.874284030411
3 13.77281749312
4 -11.7998914815
5 8.198719712743
6 -3.780722250985
7 3.284224619561
8 -3.198246468644
9 1.290263284879
10 -0.3443754158351
11 0.3542440085555
 
PAIRTYPE PARAMS: 3 C N

0 -0.4113991281746
1 12.0274433046
2 3.686325514342
3 -2.264485954992
4 0.773345032425
5 1.882027349385
6 -0.349077248069
7 0.2591275095011
8 0.3320444301562
9 0.3974530440872
10 -0.2927099560382
11 0.3028706200544
 
PAIRTYPE PARAMS: 4 C O

0 -7.536063746383
1 17.79830266489
2 3.751192390142
3 2.583184709947
4 -1.507841903441
5 2.181153296396
6 -1.059709786858
7 1.421396055249
8 0.2671914342018
9 0.1503565543387
10 -0.1281275711291
11 0.3599022362448
 
PAIRTYPE PARAMS: 5 N O

0 9.781020385197
1 8.374740512106
2 10.38169463872
3 -2.639633615906
4 3.378804728818
5 0.6508725871177
6 -0.5513665264099
7 -0.01366004094648
8 0.8776978208443
9 0.06583393568784
10 -0.6479801170317
11 0.6624119301365
 
TRIPLET CHEBYSHEV PARAMS 

TRIPLETTYPE PARAMS:
   INDEX: 0 ATOMS: C C C
PAIRS: CC CC CC UNIQUE: -1 TOTAL: 384
     index  |  powers  |  equiv index  |  param index  |       parameter       
   ----------------------------------------------------------------------------
0 0 1 1 0 0 0.2416920287815
1 1 0 1 0 0 0.2416920287815
2 1 1 0 0 0 0.2416920287815
3 0 1 2 3 1 -4.990711362051
4 1 0 2 3 1 -4.990711362051
5 0 2 1 3 1 -4.990711362051
6 2 0 1 3 1 -4.990711362051
7 1 2 0 3 1 -4.990711362051
8 2 1 0 3 1 -4.990711362051
9 0 1 3 9 2 -3.359651603146
10 1 0 3 9 2 -3.359651603146
11 0 3 1 9 2 -3.359651603146
12 3 0 1 9 2 -3.359651603146
13 1 3 0 9 2 -3.359651603146
14 3 1 0 9 2 -3.359651603146
15 0 1 4 15 3 -7.544593861996
16 1 0 4 15 3 -7.544593861996
17 0 4 1 15 3 -7.544593861996
18 4 0 1 15 3 -7.544593861996
19 1 4 0 15 3 -7.544593861996
20 4 1 0 15 3 -7.544593861996
21 0 1 6 27 5 -0.8285687540766
22 1 0 6 27 5 -0.8285687540766
23 0 6 1 27 5 -0.8285687540766
24 6 0 1 27 5 -0.8285687540766
25 1 6 0 27 5 -0.8285687540766
26 6 1 0 27 5 -0.8285687540766
27 0 2 2 39 7 -5.937730790256
28 2 0 2 39 7 -5.937730790256
29 2 2 0 39 7 -5.937730790256
30 0 2 3 42 8 0.5187509546597
31 2 0 3 42 8 0.5187509546597
32 0 3 2 42 8 0.5187509546597
33 3 0 2 42 8 0.5187509546597
34 2 3 0 42 8 0.5187509546597
35 3 2 0 42 8 0.5187509546597
36 0 2 4 48 9 -3.084142425606
37 2 0 4 48 9 -3.084142425606
38 0 4 2 48 9 -3.084142425606
39 4 0 2 48 9 -3.084142425606
40 2 4 0 48 9 -3.084142425606
41 4 2 0 48 9 -3.084142425606
42 0 2 5 54 10 0.8830290603613
43 2 0 5 54 10 0.8830290603613
44 0 5 2 54 10 0.8830290603613
45 5 0 2 54 10 0.8830290603613
46 2 5 0 54 10 0.8830290603613
47 5 2 0 54 10 0.8830290603613
48 0 2 6 60 11 -2.975850715998
49 2 0 6 60 11 -2.975850715998
50 0 6 2 60 11 -2.975850715998
51 6 0 2 60 11 -2.975850715998
52 2 6 0 60 11 -2.975850715998
53 6 2 0 60 11 -2.975850715998
54 0 2 7 66 12 -0.2802007953071
55 2 0 7 66 12 -0.2802007953071
56 0 7 2 66 12 -0.2802007953071
57 7 0 2 66 12 -0.2802007953071
58 2 7 0 66 12 -0.2802007953071
59 7 2 0 66 12 -0.2802007953071
60 0 3 3 72 13 -5.408440835392
61 3 0 3 72 13 -5.408440835392
62 3 3 0 72 13 -5.408440835392
63 0 3 4 75 14 -1.163612636048
64 3 0 4 75 14 -1.163612636048
65 0 4 3 75 14 -1.163612636048
66 4 0 3 75 14 -1.163612636048
67 3 4 0 75 14 -1.163612636048
68 4 3 0 75 14 -1.163612636048
69 0 3 6 87 16 1.382255788508
70 3 0 6 87 16 1.382255788508
71 0 6 3 87 16 1.382255788508
72 6 0 3 87 16 1.382255788508
73 3 6 0 87 16 1.382255788508
74 6 3 0 87 16 1.382255788508
75 0 3 7 93 17 0.6940661957663
76 3 0 7 93 17 0.6940661957663
77 0 7 3 93 17 0.6940661957663
78 7 0 3 93 17 0.6940661957663
79 3 7 0 93 17 0.6940661957663
80 7 3 0 93 17 0.6940661957663
81 0 4 4 99 18 2.885927208359
82 4 0 4 99 18 2.885927208359
83 4 4 0 99 18 2.885927208359
84 0 4 5 102 19 6.031722677564
85 4 0 5 102 19 6.031722677564
86 0 5 4 102 19 6.031722677564
87 5 0 4 102 19 6.031722677564
88 4 5 0 102 19 6.031722677564
89 5 4 0 102 19 6.031722677564
90 0 4 6 108 20 1.0156310126
91 4 0 6 108 20 1.0156310126
92 0 6 4 108 20 1.0156310126
93 6 0 4 108 20 1.0156310126
94 4 6 0 108 20 1.0156310126
95 6 4 0 108 20 1.0156310126
96 0 4 7 114 21 -2.327110430649
97 4 0 7 114 21 -2.327110430649
98 0 7 4 114 21 -2.327110430649
99 7 0 4 114 21 -2.327110430649
100 4 7 0 114 21 -2.327110430649
101 7 4 0 114 21 -2.327110430649
102 0 5 5 120 22 1.770641387298
103 5 0 5 120 22 1.770641387298
104 5 5 0 120 22 1.770641387298
105 0 5 6 123 23 2.113135827771
106 5 0 6 123 23 2.113135827771
107 0 6 5 123 23 2.113135827771
108 6 0 5 123 23 2.113135827771
109 5 6 0 123 23 2.113135827771
110 6 5 0 123 23 2.113135827771
111 0 5 7 129 24 0.8188883274477
112 5 0 7 129 24 0.8188883274477
113 0 7 5 129 24 0.8188883274477
114 7 0 5 129 24 0.8188883274477
115 5 7 0 129 24 0.8188883274477
116 7 5 0 129 24 0.8188883274477
117 0 6 6 135 25 -0.1703970268459
118 6 0 6 135 25 -0.1703970268459
119 6 6 0 135 25 -0.1703970268459
120 0 6 7 138 26 -0.575460628154
121 6 0 7 138 26 -0.575460628154
122 0 7 6 138 26 -0.575460628154
123 7 0 6 138 26 -0.575460628154
124 6 7 0 138 26 -0.575460628154
125 7 6 0 138 26 -0.575460628154
126 0 7 7 144 27 1.032913394289
127 7 0 7 144 27 1.032913394289
128 7 7 0 144 27 1.032913394289
129 1 1 2 148 29 -1.249493042941
130 1 2 1 148 29 -1.249493042941
131 2 1 1 148 29 -1.249493042941
132 1 1 3 151 30 -23.78308914965
133 1 3 1 151 30 -23.78308914965
134 3 1 1 151 30 -23.78308914965
135 1 2 2 166 35 -14.27652593503
136 2 1 2 166 35 -14.27652593503
137 2 2 1 166 35 -14.27652593503
138 1 2 3 169 36 2.3260397447
139 2 1 3 169 36 2.3260397447
140 1 3 2 169 36 2.3260397447
141 3 1 2 169 36 2.3260397447
142 2 3 1 169 36 2.3260397447
143 3 2 1 169 36 2.3260397447
144 1 2 5 181 38 3.458202517704
145 2 1 5 181 38 3.458202517704
146 1 5 2 181 38 3.458202517704
147 5 1 2 181 38 3.458202517704
148 2 5 1 181 38 3.458202517704
149 5 2 1 181 38 3.458202517704
150 1 2 6 187 39 -0.105074294006
151 2 1 6 187 39 -0.105074294006
152 1 6 2 187 39 -0.105074294006
153 6 1 2 187 39 -0.105074294006
154 2 6 1 187 39 -0.105074294006
155 6 2 1 187 39 -0.105074294006
156 1 2 7 193 40 -0.7844606790845
157 2 1 7 193 40 -0.7844606790845
158 1 7 2 193 40 -0.7844606790845
159 7 1 2 193 40 -0.7844606790845
160 2 7 1 193 40 -0.7844606790845
161 7 2 1 193 40 -0.7844606790845
162 1 3 4 202 42 13.28254096003
163 3 1 4 202 42 13.28254096003
164 1 4 3 202 42 13.28254096003
165 4 1 3 202 42 13.28254096003
166 3 4 1 202 42 13.28254096003
167 4 3 1 202 42 13.28254096003
168 1 3 5 208 43 1.739974678348
169 3 1 5 208 43 1.739974678348
170 1 5 3 208 43 1.739974678348
171 5 1 3 208 43 1.739974678348
172 3 5 1 208 43 1.739974678348
173 5 3 1 208 43 1.739974678348
174 1 3 6 214 44 -0.1282666625341
175 3 1 6 214 44 -0.1282666625341
176 1 6 3 214 44 -0.1282666625341
177 6 1 3 214 44 -0.1282666625341
178 3 6 1 214 44 -0.1282666625341
179 6 3 1 214 44 -0.1282666625341
180 1 3 7 220 45 -2.77169608581
181 3 1 7 220 45 -2.77169608581
182 1 7 3 220 45 -2.77169608581
183 7 1 3 220 45 -2.77169608581
184 3 7 1 220 45 -2.77169608581
185 7 3 1 220 45 -2.77169608581
186 1 4 5 229 47 -3.638470381495
187 4 1 5 229 47 -3.638470381495
188 1 5 4 229 47 -3.638470381495
189 5 1 4 229 47 -3.638470381495
190 4 5 1 229 47 -3.638470381495
191 5 4 1 229 47 -3.638470381495
192 1 4 7 241 49 -0.2626419491129
193 4 1 7 241 49 -0.2626419491129
194 1 7 4 241 49 -0.2626419491129
195 7 1 4 241 49 -0.2626419491129
196 4 7 1 241 49 -0.2626419491129
197 7 4 1 241 49 -0.2626419491129
198 1 5 7 256 52 1.2535899214
199 5 1 7 256 52 1.2535899214
200 1 7 5 256 52 1.2535899214
201 7 1 5 256 52 1.2535899214
202 5 7 1 256 52 1.2535899214
203 7 5 1 256 52 1.2535899214
204 1 6 6 262 53 4.756657155679
205 6 1 6 262 53 4.756657155679
206 6 6 1 262 53 4.756657155679
207 1 6 7 265 54 0.7515217461478
208 6 1 7 265 54 0.7515217461478
209 1 7 6 265 54 0.7515217461478
210 7 1 6 265 54 0.7515217461478
211 6 7 1 265 54 0.7515217461478
212 7 6 1 265 54 0.7515217461478
213 1 7 7 271 55 1.095244487895
214 7 1 7 271 55 1.095244487895
215 7 7 1 271 55 1.095244487895
216 2 2 2 274 56 -17.28850282704
217 2 2 3 275 57 4.814637221045
218 2 3 2 275 57 4.814637221045
219 3 2 2 275 57 4.814637221045
220 2 2 4 278 58 -10.63817000366
221 2 4 2 278 58 -10.63817000366
222 4 2 2 278 58 -10.63817000366
223 2 2 6 284 60 -6.720480144499
224 2 6 2 284 60 -6.720480144499
225 6 2 2 284 60 -6.720480144499
226 2 2 7 287 61 -2.431045800152
227 2 7 2 287 61 -2.431045800152
228 7 2 2 287 61 -2.431045800152
229 2 3 4 293 63 4.449685547341
230 3 2 4 293 63 4.449685547341
231 2 4 3 293 63 4.449685547341
232 4 2 3 293 63 4.449685547341
233 3 4 2 293 63 4.449685547341
234 4 3 2 293 63 4.449685547341
235 2 3 6 305 65 1.54956008464
236 3 2 6 305 65 1.54956008464
237 2 6 3 305 65 1.54956008464
238 6 2 3 305 65 1.54956008464
239 3 6 2 305 65 1.54956008464
240 6 3 2 305 65 1.54956008464
241 2 4 5 320 68 7.102422484309
242 4 2 5 320 68 7.102422484309
243 2 5 4 320 68 7.102422484309
244 5 2 4 320 68 7.102422484309
245 4 5 2 320 68 7.102422484309
246 5 4 2 320 68 7.102422484309
247 2 4 7 332 70 -5.828614992542
248 4 2 7 332 70 -5.828614992542
249 2 7 4 332 70 -5.828614992542
250 7 2 4 332 70 -5.828614992542
251 4 7 2 332 70 -5.828614992542
252 7 4 2 332 70 -5.828614992542
253 2 5 6 341 72 1.365999378068
254 5 2 6 341 72 1.365999378068
255 2 6 5 341 72 1.365999378068
256 6 2 5 341 72 1.365999378068
257 5 6 2 341 72 1.365999378068
258 6 5 2 341 72 1.365999378068
259 2 5 7 347 73 0.5144851373641
260 5 2 7 347 73 0.5144851373641
261 2 7 5 347 73 0.5144851373641
262 7 2 5 347 73 0.5144851373641
263 5 7 2 347 73 0.5144851373641
264 7 5 2 347 73 0.5144851373641
265 2 6 6 353 74 -0.6268759341476
266 6 2 6 353 74 -0.6268759341476
267 6 6 2 353 74 -0.6268759341476
268 2 6 7 356 75 -1.570200491188
269 6 2 7 356 75 -1.570200491188
270 2 7 6 356 75 -1.570200491188
271 7 2 6 356 75 -1.570200491188
272 6 7 2 356 75 -1.570200491188
273 7 6 2 356 75 -1.570200491188
274 2 7 7 362 76 1.64979875341
275 7 2 7 362 76 1.64979875341
276 7 7 2 362 76 1.64979875341
277 3 3 3 365 77 22.55344238228
278 3 3 4 366 78 4.878117132721
279 3 4 3 366 78 4.878117132721
280 4 3 3 366 78 4.878117132721
281 3 3 6 372 80 -6.027708232285
282 3 6 3 372 80 -6.027708232285
283 6 3 3 372 80 -6.027708232285
284 3 3 7 375 81 -3.215207261881
285 3 7 3 375 81 -3.215207261881
286 7 3 3 375 81 -3.215207261881
287 3 4 4 378 82 -5.684910198413
288 4 3 4 378 82 -5.684910198413
289 4 4 3 378 82 -5.684910198413
290 3 4 5 381 83 -9.224702728906
291 4 3 5 381 83 -9.224702728906
292 3 5 4 381 83 -9.224702728906
293 5 3 4 381 83 -9.224702728906
294 4 5 3 381 83 -9.224702728906
295 5 4 3 381 83 -9.224702728906
296 3 4 6 387 84 -1.745825224308
297 4 3 6 387 84 -1.745825224308
298 3 6 4 387 84 -1.745825224308
299 6 3 4 387 84 -1.745825224308
300 4 6 3 387 84 -1.745825224308
301 6 4 3 387 84 -1.745825224308
302 3 4 7 393 85 -0.9507304020985
303 4 3 7 393 85 -0.9507304020985
304 3 7 4 393 85 -0.9507304020985
305 7 3 4 393 85 -0.9507304020985
306 4 7 3 393 85 -0.9507304020985
307 7 4 3 393 85 -0.9507304020985
308 3 5 5 399 86 -6.842789127146
309 5 3 5 399 86 -6.842789127146
310 5 5 3 399 86 -6.842789127146
311 3 5 6 402 87 -3.033517544363
312 5 3 6 402 87 -3.033517544363
313 3 6 5 402 87 -3.033517544363
314 6 3 5 402 87 -3.033517544363
315 5 6 3 402 87 -3.033517544363
316 6 5 3 402 87 -3.033517544363
317 3 6 6 414 89 2.985671666805
318 6 3 6 414 89 2.985671666805
319 6 6 3 414 89 2.985671666805
320 3 6 7 417 90 0.446544592004
321 6 3 7 417 90 0.446544592004
322 3 7 6 417 90 0.446544592004
323 7 3 6 417 90 0.446544592004
324 6 7 3 417 90 0.446544592004
325 7 6 3 417 90 0.446544592004
326 3 7 7 423 91 1.51403646233
327 7 3 7 423 91 1.51403646233
328 7 7 3 423 91 1.51403646233
329 4 4 4 426 92 2.675461678682
330 4 4 5 427 93 0.9920612188399
331 4 5 4 427 93 0.9920612188399
332 5 4 4 427 93 0.9920612188399
333 4 4 6 430 94 1.008961587512
334 4 6 4 430 94 1.008961587512
335 6 4 4 430 94 1.008961587512
336 4 4 7 433 95 -7.612161299407
337 4 7 4 433 95 -7.612161299407
338 7 4 4 433 95 -7.612161299407
339 4 5 5 436 96 -9.548092880082
340 5 4 5 436 96 -9.548092880082
341 5 5 4 436 96 -9.548092880082
342 4 5 6 439 97 0.9212739118481
343 5 4 6 439 97 0.9212739118481
344 4 6 5 439 97 0.9212739118481
345 6 4 5 439 97 0.9212739118481
346 5 6 4 439 97 0.9212739118481
347 6 5 4 439 97 0.9212739118481
348 4 6 6 451 99 -0.1355528564765
349 6 4 6 451 99 -0.1355528564765
350 6 6 4 451 99 -0.1355528564765
351 4 6 7 454 100 -1.050106781067
352 6 4 7 454 100 -1.050106781067
353 4 7 6 454 100 -1.050106781067
354 7 4 6 454 100 -1.050106781067
355 6 7 4 454 100 -1.050106781067
356 7 6 4 454 100 -1.050106781067
357 4 7 7 460 101 1.641614762555
358 7 4 7 460 101 1.641614762555
359 7 7 4 460 101 1.641614762555
360 5 5 5 463 102 -3.757312658278
361 5 5 7 467 104 2.728129586604
362 5 7 5 467 104 2.728129586604
363 7 5 5 467 104 2.728129586604
364 5 6 6 470 105 2.152040050069
365 6 5 6 470 105 2.152040050069
366 6 6 5 470 105 2.152040050069
367 5 6 7 473 106 1.350935627158
368 6 5 7 473 106 1.350935627158
369 5 7 6 473 106 1.350935627158
370 7 5 6 473 106 1.350935627158
371 6 7 5 473 106 1.350935627158
372 7 6 5 473 106 1.350935627158
373 5 7 7 479 107 2.559062846946
374 7 5 7 479 107 2.559062846946
375 7 7 5 479 107 2.559062846946
376 6 6 6 482 108 -0.3245483238685
377 6 6 7 483 109 0.5267114035958
378 6 7 6 483 109 0.5267114035958
379 7 6 6 483 109 0.5267114035958
380 6 7 7 486 110 0.7506263427804
381 7 6 7 486 110 0.7506263427804
382 7 7 6 486 110 0.7506263427804
383 7 7 7 489 111 0.8954328775427

TRIPLETTYPE PARAMS:
   INDEX: 1 ATOMS: C C N
PAIRS: CC CN CN UNIQUE: -1 TOTAL: 419
     index  |  powers  |  equiv index  |  param index  |       parameter       
   ----------------------------------------------------------------------------
0 0 1 2 1 1 5.024905859146
1 0 2 1 1 1 5.024905859146
2 0 1 4 5 3 1.136028366066
3 0 4 1 5 3 1.136028366066
4 0 1 6 9 5 1.8407477809
5 0 6 1 9 5 1.8407477809
6 0 1 7 11 6 0.4747589436588
7 0 7 1 11 6 0.4747589436588
8 0 2 2 13 7 -42.14153200215
9 0 2 3 14 8 -19.96934462239
10 0 3 2 14 8 -19.96934462239
11 0 2 4 16 9 -29.46290905566
12 0 4 2 16 9 -29.46290905566
13 0 2 5 18 10 -5.049393951931
14 0 5 2 18 10 -5.049393951931
15 0 2 6 20 11 -8.623249487431
16 0 6 2 20 11 -8.623249487431
17 0 2 7 22 12 -0.9443810709261
18 0 7 2 22 12 -0.9443810709261
19 0 3 3 24 13 -9.868986861002
20 0 3 4 25 14 -8.349039995973
21 0 4 3 25 14 -8.349039995973
22 0 3 5 27 15 1.735000368071
23 0 5 3 27 15 1.735000368071
24 0 3 6 29 16 -1.852214639573
25 0 6 3 29 16 -1.852214639573
26 0 3 7 31 17 0.6348054422369
27 0 7 3 31 17 0.6348054422369
28 0 4 4 33 18 -11.98857011351
29 0 4 5 34 19 4.035543080891
30 0 5 4 34 19 4.035543080891
31 0 4 6 36 20 -2.977548430011
32 0 6 4 36 20 -2.977548430011
33 0 4 7 38 21 0.8951550813873
34 0 7 4 38 21 0.8951550813873
35 0 5 5 40 22 1.546445564447
36 0 5 6 41 23 -0.3063952271976
37 0 6 5 41 23 -0.3063952271976
38 0 5 7 43 24 -1.141452629233
39 0 7 5 43 24 -1.141452629233
40 0 6 6 45 25 -0.9991984278767
41 0 6 7 46 26 -0.2119008042844
42 0 7 6 46 26 -0.2119008042844
43 0 7 7 48 27 -0.7775996907631
44 1 0 1 49 28 8.447096371322
45 1 1 0 49 28 8.447096371322
46 1 0 2 51 29 -4.810783275069
47 1 2 0 51 29 -4.810783275069
48 1 0 3 53 30 -0.8998037220153
49 1 3 0 53 30 -0.8998037220153
50 1 0 4 55 31 4.512571336925
51 1 4 0 55 31 4.512571336925
52 1 0 5 57 32 3.75247003105
53 1 5 0 57 32 3.75247003105
54 1 0 6 59 33 -8.166522729221
55 1 6 0 59 33 -8.166522729221
56 1 0 7 61 34 -1.193601932852
57 1 7 0 61 34 -1.193601932852
58 1 1 3 66 37 6.978863334097
59 1 3 1 66 37 6.978863334097
60 1 1 4 68 38 21.80922566393
61 1 4 1 68 38 21.80922566393
62 1 1 5 70 39 16.13109704756
63 1 5 1 70 39 16.13109704756
64 1 1 6 72 40 -19.80684048819
65 1 6 1 72 40 -19.80684048819
66 1 2 4 79 44 19.5388582894
67 1 4 2 79 44 19.5388582894
68 1 2 5 81 45 7.175524514683
69 1 5 2 81 45 7.175524514683
70 1 2 6 83 46 -5.941934372073
71 1 6 2 83 46 -5.941934372073
72 1 3 4 88 49 6.635925671407
73 1 4 3 88 49 6.635925671407
74 1 3 5 90 50 -0.4634167108159
75 1 5 3 90 50 -0.4634167108159
76 1 3 6 92 51 -5.884454465775
77 1 6 3 92 51 -5.884454465775
78 1 3 7 94 52 -5.855070241074
79 1 7 3 94 52 -5.855070241074
80 1 4 6 99 55 0.7441930930791
81 1 6 4 99 55 0.7441930930791
82 1 4 7 101 56 -0.2170623134103
83 1 7 4 101 56 -0.2170623134103
84 1 5 6 104 58 4.528228981624
85 1 6 5 104 58 4.528228981624
86 1 6 6 108 60 5.386692677768
87 1 6 7 109 61 2.837148489282
88 1 7 6 109 61 2.837148489282
89 1 7 7 111 62 0.3518890519154
90 2 0 1 112 63 12.86460244794
91 2 1 0 112 63 12.86460244794
92 2 0 2 114 64 -22.54134032086
93 2 2 0 114 64 -22.54134032086
94 2 0 4 118 66 -20.79811560585
95 2 4 0 118 66 -20.79811560585
96 2 0 5 120 67 1.253350562989
97 2 5 0 120 67 1.253350562989
98 2 0 6 122 68 -4.997691346951
99 2 6 0 122 68 -4.997691346951
100 2 0 7 124 69 3.443052596661
101 2 7 0 124 69 3.443052596661
102 2 1 1 126 70 16.63570761303
103 2 1 2 127 71 -6.946987796529
104 2 2 1 127 71 -6.946987796529
105 2 1 3 129 72 -8.48283278588
106 2 3 1 129 72 -8.48283278588
107 2 1 5 133 74 -1.782191095976
108 2 5 1 133 74 -1.782191095976
109 2 2 2 139 77 -103.2797141544
110 2 2 3 140 78 -34.45097781302
111 2 3 2 140 78 -34.45097781302
112 2 2 4 142 79 -72.92622014622
113 2 4 2 142 79 -72.92622014622
114 2 2 5 144 80 -4.116464080428
115 2 5 2 144 80 -4.116464080428
116 2 2 6 146 81 -15.51858342133
117 2 6 2 146 81 -15.51858342133
118 2 2 7 148 82 3.958601091986
119 2 7 2 148 82 3.958601091986
120 2 3 3 150 83 -15.33981863134
121 2 3 4 151 84 -8.380919597225
122 2 4 3 151 84 -8.380919597225
123 2 3 5 153 85 3.375413642593
124 2 5 3 153 85 3.375413642593
125 2 3 6 155 86 -2.191181310944
126 2 6 3 155 86 -2.191181310944
127 2 3 7 157 87 1.350195113649
128 2 7 3 157 87 1.350195113649
129 2 4 4 159 88 -31.57362171073
130 2 4 5 160 89 10.72438017675
131 2 5 4 160 89 10.72438017675
132 2 4 6 162 90 -4.711415562737
133 2 6 4 162 90 -4.711415562737
134 2 4 7 164 91 4.590427904624
135 2 7 4 164 91 4.590427904624
136 2 5 5 166 92 0.9344172559529
137 2 5 6 167 93 0.2178298650419
138 2 6 5 167 93 0.2178298650419
139 2 5 7 169 94 -2.529479977409
140 2 7 5 169 94 -2.529479977409
141 2 6 6 171 95 -0.2988447518938
142 2 6 7 172 96 0.4640983130978
143 2 7 6 172 96 0.4640983130978
144 2 7 7 174 97 -1.472482840237
145 3 0 1 175 98 0.6140208857035
146 3 1 0 175 98 0.6140208857035
147 3 0 2 177 99 -6.212367043091
148 3 2 0 177 99 -6.212367043091
149 3 0 3 179 100 -7.897352422162
150 3 3 0 179 100 -7.897352422162
151 3 0 4 181 101 -4.143391578513
152 3 4 0 181 101 -4.143391578513
153 3 0 6 185 103 -7.716613912555
154 3 6 0 185 103 -7.716613912555
155 3 0 7 187 104 -0.9639209453854
156 3 7 0 187 104 -0.9639209453854
157 3 1 1 189 105 -2.302941008154
158 3 1 2 190 106 -8.270218063573
159 3 2 1 190 106 -8.270218063573
160 3 1 3 192 107 8.33398821783
161 3 3 1 192 107 8.33398821783
162 3 1 4 194 108 5.761359675494
163 3 4 1 194 108 5.761359675494
164 3 1 6 198 110 -18.17730128348
165 3 6 1 198 110 -18.17730128348
166 3 1 7 200 111 0.1844604067506
167 3 7 1 200 111 0.1844604067506
168 3 2 2 202 112 -1.646764008909
169 3 2 3 203 113 -7.216088768109
170 3 3 2 203 113 -7.216088768109
171 3 2 4 205 114 2.821613286202
172 3 4 2 205 114 2.821613286202
173 3 2 5 207 115 3.685817581329
174 3 5 2 207 115 3.685817581329
175 3 2 6 209 116 -6.046180523497
176 3 6 2 209 116 -6.046180523497
177 3 2 7 211 117 0.6210774437156
178 3 7 2 211 117 0.6210774437156
179 3 3 3 213 118 5.863031594556
180 3 3 4 214 119 -3.840863803819
181 3 4 3 214 119 -3.840863803819
182 3 3 5 216 120 -7.328111946516
183 3 5 3 216 120 -7.328111946516
184 3 3 6 218 121 -6.472410765335
185 3 6 3 218 121 -6.472410765335
186 3 3 7 220 122 -2.253135593476
187 3 7 3 220 122 -2.253135593476
188 3 4 4 222 123 -7.073877859218
189 3 4 5 223 124 -1.860800454593
190 3 5 4 223 124 -1.860800454593
191 3 4 7 227 126 0.2202839902208
192 3 7 4 227 126 0.2202839902208
193 3 5 5 229 127 -5.103709116785
194 3 5 6 230 128 2.955503441799
195 3 6 5 230 128 2.955503441799
196 3 5 7 232 129 1.485957224893
197 3 7 5 232 129 1.485957224893
198 3 6 6 234 130 4.229154783276
199 3 6 7 235 131 2.06280026544
200 3 7 6 235 131 2.06280026544
201 3 7 7 237 132 2.081390127737
202 4 0 1 238 133 11.11440337087
203 4 1 0 238 133 11.11440337087
204 4 0 2 240 134 -21.63806895907
205 4 2 0 240 134 -21.63806895907
206 4 0 4 244 136 -9.684577319844
207 4 4 0 244 136 -9.684577319844
208 4 0 5 246 137 4.16899564981
209 4 5 0 246 137 4.16899564981
210 4 0 6 248 138 -0.8146620722936
211 4 6 0 248 138 -0.8146620722936
212 4 0 7 250 139 1.831518865561
213 4 7 0 250 139 1.831518865561
214 4 1 1 252 140 5.68096517998
215 4 1 2 253 141 1.851740879599
216 4 2 1 253 141 1.851740879599
217 4 1 7 263 146 1.013618076269
218 4 7 1 263 146 1.013618076269
219 4 2 2 265 147 -75.09597293792
220 4 2 3 266 148 -13.10392288705
221 4 3 2 266 148 -13.10392288705
222 4 2 4 268 149 -33.36142662737
223 4 4 2 268 149 -33.36142662737
224 4 2 5 270 150 6.14833400336
225 4 5 2 270 150 6.14833400336
226 4 2 6 272 151 -3.71982343263
227 4 6 2 272 151 -3.71982343263
228 4 2 7 274 152 2.693757454903
229 4 7 2 274 152 2.693757454903
230 4 3 3 276 153 2.727730029557
231 4 3 4 277 154 -1.32282649878
232 4 4 3 277 154 -1.32282649878
233 4 3 5 279 155 5.960438078074
234 4 5 3 279 155 5.960438078074
235 4 3 6 281 156 0.006059308748544
236 4 6 3 281 156 0.006059308748544
237 4 3 7 283 157 2.746130000127
238 4 7 3 283 157 2.746130000127
239 4 4 4 285 158 -3.464978539343
240 4 4 5 286 159 9.361279466777
241 4 5 4 286 159 9.361279466777
242 4 4 6 288 160 2.642725722664
243 4 6 4 288 160 2.642725722664
244 4 4 7 290 161 2.155214222295
245 4 7 4 290 161 2.155214222295
246 4 5 5 292 162 2.061430785877
247 4 5 6 293 163 1.10751139172
248 4 6 5 293 163 1.10751139172
249 4 5 7 295 164 -0.2106099149711
250 4 7 5 295 164 -0.2106099149711
251 4 6 6 297 165 1.453356381645
252 4 6 7 298 166 0.04030130880244
253 4 7 6 298 166 0.04030130880244
254 5 0 1 301 168 3.720815229168
255 5 1 0 301 168 3.720815229168
256 5 0 2 303 169 0.7397517282853
257 5 2 0 303 169 0.7397517282853
258 5 0 3 305 170 -1.314306662274
259 5 3 0 305 170 -1.314306662274
260 5 0 4 307 171 0.6272196975879
261 5 4 0 307 171 0.6272196975879
262 5 0 5 309 172 0.8131651236639
263 5 5 0 309 172 0.8131651236639
264 5 0 6 311 173 -4.20138245336
265 5 6 0 311 173 -4.20138245336
266 5 0 7 313 174 -1.024923593017
267 5 7 0 313 174 -1.024923593017
268 5 1 1 315 175 0.9670591495764
269 5 1 2 316 176 3.101150531863
270 5 2 1 316 176 3.101150531863
271 5 1 5 322 179 -6.717285008858
272 5 5 1 322 179 -6.717285008858
273 5 1 6 324 180 -5.306550887624
274 5 6 1 324 180 -5.306550887624
275 5 1 7 326 181 0.7760315796964
276 5 7 1 326 181 0.7760315796964
277 5 2 2 328 182 6.214544442721
278 5 2 4 331 184 4.799697309331
279 5 4 2 331 184 4.799697309331
280 5 2 5 333 185 3.191468528892
281 5 5 2 333 185 3.191468528892
282 5 2 6 335 186 -4.065698874788
283 5 6 2 335 186 -4.065698874788
284 5 2 7 337 187 -0.101078756309
285 5 7 2 337 187 -0.101078756309
286 5 3 3 339 188 -4.717744150359
287 5 3 4 340 189 -2.870223977549
288 5 4 3 340 189 -2.870223977549
289 5 3 5 342 190 -7.85277581018
290 5 5 3 342 190 -7.85277581018
291 5 3 6 344 191 1.092065710733
292 5 6 3 344 191 1.092065710733
293 5 3 7 346 192 0.4007611363813
294 5 7 3 346 192 0.4007611363813
295 5 4 5 349 194 0.5509222986716
296 5 5 4 349 194 0.5509222986716
297 5 4 6 351 195 0.5942194644652
298 5 6 4 351 195 0.5942194644652
299 5 4 7 353 196 0.7687731447256
300 5 7 4 353 196 0.7687731447256
301 5 5 5 355 197 -2.130177813947
302 5 5 6 356 198 4.712633228721
303 5 6 5 356 198 4.712633228721
304 5 5 7 358 199 2.589938679253
305 5 7 5 358 199 2.589938679253
306 5 6 6 360 200 1.947730647623
307 5 6 7 361 201 2.157472764337
308 5 7 6 361 201 2.157472764337
309 5 7 7 363 202 2.055761788691
310 6 0 1 364 203 -1.175561034138
311 6 1 0 364 203 -1.175561034138
312 6 0 2 366 204 -9.107275511965
313 6 2 0 366 204 -9.107275511965
314 6 0 3 368 205 -2.951105043752
315 6 3 0 368 205 -2.951105043752
316 6 0 4 370 206 -3.371055274416
317 6 4 0 370 206 -3.371055274416
318 6 0 5 372 207 -1.494612947482
319 6 5 0 372 207 -1.494612947482
320 6 0 7 376 209 -0.2819385682557
321 6 7 0 376 209 -0.2819385682557
322 6 1 1 378 210 -34.06815287928
323 6 1 2 379 211 -0.5087281748545
324 6 2 1 379 211 -0.5087281748545
325 6 1 3 381 212 -16.96222385724
326 6 3 1 381 212 -16.96222385724
327 6 1 4 383 213 4.34935345669
328 6 4 1 383 213 4.34935345669
329 6 1 5 385 214 -1.628535893897
330 6 5 1 385 214 -1.628535893897
331 6 1 6 387 215 3.29143297607
332 6 6 1 387 215 3.29143297607
333 6 2 2 391 217 -26.77122710464
334 6 2 3 392 218 -3.617918044773
335 6 3 2 392 218 -3.617918044773
336 6 2 4 394 219 -10.07639834313
337 6 4 2 394 219 -10.07639834313
338 6 2 6 398 221 -0.3830366940477
339 6 6 2 398 221 -0.3830366940477
340 6 2 7 400 222 0.01539060185503
341 6 7 2 400 222 0.01539060185503
342 6 3 3 402 223 -4.607484681608
343 6 3 4 403 224 3.326008977945
344 6 4 3 403 224 3.326008977945
345 6 3 5 405 225 4.424785000967
346 6 5 3 405 225 4.424785000967
347 6 3 6 407 226 2.195134685857
348 6 6 3 407 226 2.195134685857
349 6 3 7 409 227 2.125821605652
350 6 7 3 409 227 2.125821605652
351 6 4 5 412 229 3.381390623568
352 6 5 4 412 229 3.381390623568
353 6 4 6 414 230 1.721356780268
354 6 6 4 414 230 1.721356780268
355 6 4 7 416 231 0.729801225623
356 6 7 4 416 231 0.729801225623
357 6 5 5 418 232 4.906933049835
358 6 5 6 419 233 0.8583894820643
359 6 6 5 419 233 0.8583894820643
360 6 5 7 421 234 1.598662857206
361 6 7 5 421 234 1.598662857206
362 6 6 6 423 235 1.097240052391
363 6 6 7 424 236 0.1374225297907
364 6 7 6 424 236 0.1374225297907
365 6 7 7 426 237 0.6178017798671
366 7 0 2 429 239 1.173239341765
367 7 2 0 429 239 1.173239341765
368 7 0 3 431 240 -2.037953283546
369 7 3 0 431 240 -2.037953283546
370 7 0 4 433 241 -0.7939166141571
371 7 4 0 433 241 -0.7939166141571
372 7 0 5 435 242 -1.341029164979
373 7 5 0 435 242 -1.341029164979
374 7 0 6 437 243 -1.101987792885
375 7 6 0 437 243 -1.101987792885
376 7 0 7 439 244 -0.4534893094534
377 7 7 0 439 244 -0.4534893094534
378 7 1 1 441 245 -8.033229877334
379 7 1 2 442 246 3.008415322991
380 7 2 1 442 246 3.008415322991
381 7 1 3 444 247 -0.9530317515387
382 7 3 1 444 247 -0.9530317515387
383 7 1 6 450 250 0.6542008688855
384 7 6 1 450 250 0.6542008688855
385 7 1 7 452 251 5.857807835465
386 7 7 1 452 251 5.857807835465
387 7 2 2 454 252 4.206047151217
388 7 2 3 455 253 -0.2098984833092
389 7 3 2 455 253 -0.2098984833092
390 7 2 5 459 255 -0.3498000345139
391 7 5 2 459 255 -0.3498000345139
392 7 2 6 461 256 -0.8644055576385
393 7 6 2 461 256 -0.8644055576385
394 7 3 3 465 258 1.261584189874
395 7 3 4 466 259 -1.492804314421
396 7 4 3 466 259 -1.492804314421
397 7 3 5 468 260 1.500477039029
398 7 5 3 468 260 1.500477039029
399 7 3 6 470 261 1.791451979453
400 7 6 3 470 261 1.791451979453
401 7 3 7 472 262 5.130747610453
402 7 7 3 472 262 5.130747610453
403 7 4 4 474 263 -1.393363455635
404 7 4 5 475 264 -0.07061230422302
405 7 5 4 475 264 -0.07061230422302
406 7 4 6 477 265 0.4533816620346
407 7 6 4 477 265 0.4533816620346
408 7 4 7 479 266 0.6949673459176
409 7 7 4 479 266 0.6949673459176
410 7 5 5 481 267 3.197480934369
411 7 5 6 482 268 1.951384107903
412 7 6 5 482 268 1.951384107903
413 7 5 7 484 269 4.037558993583
414 7 7 5 484 269 4.037558993583
415 7 6 6 486 270 1.094694833615
416 7 6 7 487 271 0.8409938323119
417 7 7 6 487 271 0.8409938323119
418 7 7 7 489 272 2.366310813639

TRIPLETTYPE PARAMS:
   INDEX: 2 ATOMS: C C O
PAIRS: CC CO CO UNIQUE: -1 TOTAL: 411
     index  |  powers  |  equiv index  |  param index  |       parameter       
   ----------------------------------------------------------------------------
0 0 1 2 1 1 -24.01111579417
1 0 2 1 1 1 -24.01111579417
2 0 1 3 3 2 -16.57233619853
3 0 3 1 3 2 -16.57233619853
4 0 1 4 5 3 -26.00025425899
5 0 4 1 5 3 -26.00025425899
6 0 1 5 7 4 0.7984891571635
7 0 5 1 7 4 0.7984891571635
8 0 1 6 9 5 -3.465822275448
9 0 6 1 9 5 -3.465822275448
10 0 1 7 11 6 -5.117423647313
11 0 7 1 11 6 -5.117423647313
12 0 2 2 13 7 -27.22315339525
13 0 2 3 14 8 -23.87803926975
14 0 3 2 14 8 -23.87803926975
15 0 2 4 16 9 -24.47448718439
16 0 4 2 16 9 -24.47448718439
17 0 2 5 18 10 -13.43889949401
18 0 5 2 18 10 -13.43889949401
19 0 2 6 20 11 -11.69669508071
20 0 6 2 20 11 -11.69669508071
21 0 2 7 22 12 -2.082407831407
22 0 7 2 22 12 -2.082407831407
23 0 3 3 24 13 -20.2867567152
24 0 3 4 25 14 -12.73716689151
25 0 4 3 25 14 -12.73716689151
26 0 3 6 29 16 -3.655484783302
27 0 6 3 29 16 -3.655484783302
28 0 3 7 31 17 -4.098815587867
29 0 7 3 31 17 -4.098815587867
30 0 4 4 33 18 -6.379854346971
31 0 4 6 36 20 -5.777030136461
32 0 6 4 36 20 -5.777030136461
33 0 4 7 38 21 -2.403328686613
34 0 7 4 38 21 -2.403328686613
35 0 5 5 40 22 7.075144474342
36 0 5 7 43 24 -1.319294524422
37 0 7 5 43 24 -1.319294524422
38 0 6 6 45 25 -2.935552492505
39 0 6 7 46 26 -0.9966051340498
40 0 7 6 46 26 -0.9966051340498
41 0 7 7 48 27 -2.524732033071
42 1 0 1 49 28 17.86733926973
43 1 1 0 49 28 17.86733926973
44 1 0 2 51 29 2.909238462671
45 1 2 0 51 29 2.909238462671
46 1 0 3 53 30 -0.5045306045645
47 1 3 0 53 30 -0.5045306045645
48 1 0 4 55 31 4.68302986025
49 1 4 0 55 31 4.68302986025
50 1 0 5 57 32 -0.01469780783583
51 1 5 0 57 32 -0.01469780783583
52 1 0 6 59 33 -3.81706330316
53 1 6 0 59 33 -3.81706330316
54 1 0 7 61 34 -0.4566732796574
55 1 7 0 61 34 -0.4566732796574
56 1 1 3 66 37 -2.890995533613
57 1 3 1 66 37 -2.890995533613
58 1 1 4 68 38 28.33375916286
59 1 4 1 68 38 28.33375916286
60 1 1 5 70 39 3.317609792397
61 1 5 1 70 39 3.317609792397
62 1 1 6 72 40 -8.943582687647
63 1 6 1 72 40 -8.943582687647
64 1 2 3 77 43 -15.30873734114
65 1 3 2 77 43 -15.30873734114
66 1 2 4 79 44 17.25831531844
67 1 4 2 79 44 17.25831531844
68 1 2 6 83 46 -0.7552869103805
69 1 6 2 83 46 -0.7552869103805
70 1 3 5 90 50 0.8879513866917
71 1 5 3 90 50 0.8879513866917
72 1 3 6 92 51 -5.27246024375
73 1 6 3 92 51 -5.27246024375
74 1 3 7 94 52 0.6878343079021
75 1 7 3 94 52 0.6878343079021
76 1 4 5 97 54 -3.628854195101
77 1 5 4 97 54 -3.628854195101
78 1 4 6 99 55 1.102901037744
79 1 6 4 99 55 1.102901037744
80 1 4 7 101 56 5.880505415417
81 1 7 4 101 56 5.880505415417
82 1 5 7 106 59 4.173793624872
83 1 7 5 106 59 4.173793624872
84 1 6 6 108 60 1.278678580848
85 1 6 7 109 61 5.090344184719
86 1 7 6 109 61 5.090344184719
87 1 7 7 111 62 5.374033958205
88 2 0 1 112 63 -44.19251015922
89 2 1 0 112 63 -44.19251015922
90 2 0 2 114 64 -3.16113168832
91 2 2 0 114 64 -3.16113168832
92 2 0 3 116 65 -7.361821956071
93 2 3 0 116 65 -7.361821956071
94 2 0 4 118 66 1.969325456058
95 2 4 0 118 66 1.969325456058
96 2 0 5 120 67 4.443506389851
97 2 5 0 120 67 4.443506389851
98 2 0 6 122 68 0.9226990517745
99 2 6 0 122 68 0.9226990517745
100 2 0 7 124 69 3.797524796146
101 2 7 0 124 69 3.797524796146
102 2 1 1 126 70 -43.44116077756
103 2 1 2 127 71 -60.27106421505
104 2 2 1 127 71 -60.27106421505
105 2 1 4 131 73 -27.05130808715
106 2 4 1 131 73 -27.05130808715
107 2 1 5 133 74 20.7190668562
108 2 5 1 133 74 20.7190668562
109 2 1 7 137 76 -0.5699648810663
110 2 7 1 137 76 -0.5699648810663
111 2 2 2 139 77 -38.48431492018
112 2 2 3 140 78 -17.17641443078
113 2 3 2 140 78 -17.17641443078
114 2 2 4 142 79 -27.73499656188
115 2 4 2 142 79 -27.73499656188
116 2 2 5 144 80 1.025838491037
117 2 5 2 144 80 1.025838491037
118 2 2 6 146 81 -12.12340152258
119 2 6 2 146 81 -12.12340152258
120 2 2 7 148 82 4.944762893229
121 2 7 2 148 82 4.944762893229
122 2 3 3 150 83 16.25305042876
123 2 3 4 151 84 4.375623327599
124 2 4 3 151 84 4.375623327599
125 2 3 5 153 85 23.05484794958
126 2 5 3 153 85 23.05484794958
127 2 3 6 155 86 2.737428134713
128 2 6 3 155 86 2.737428134713
129 2 3 7 157 87 0.2857749612328
130 2 7 3 157 87 0.2857749612328
131 2 4 4 159 88 -1.605544664428
132 2 4 5 160 89 13.98232570855
133 2 5 4 160 89 13.98232570855
134 2 4 6 162 90 -5.781871610421
135 2 6 4 162 90 -5.781871610421
136 2 4 7 164 91 0.7781271641292
137 2 7 4 164 91 0.7781271641292
138 2 5 5 166 92 17.98665762322
139 2 5 6 167 93 3.803473332741
140 2 6 5 167 93 3.803473332741
141 2 6 6 171 95 -3.925892574373
142 2 6 7 172 96 -0.3630147621524
143 2 7 6 172 96 -0.3630147621524
144 2 7 7 174 97 -3.652568858089
145 3 0 2 177 99 -2.510030421152
146 3 2 0 177 99 -2.510030421152
147 3 0 3 179 100 -3.518562403045
148 3 3 0 179 100 -3.518562403045
149 3 0 4 181 101 -1.315247536744
150 3 4 0 181 101 -1.315247536744
151 3 0 5 183 102 1.779753838785
152 3 5 0 183 102 1.779753838785
153 3 0 6 185 103 -1.81232423579
154 3 6 0 185 103 -1.81232423579
155 3 0 7 187 104 1.446109772433
156 3 7 0 187 104 1.446109772433
157 3 1 1 189 105 -9.670452671308
158 3 1 2 190 106 -1.477081760561
159 3 2 1 190 106 -1.477081760561
160 3 1 3 192 107 8.40628788661
161 3 3 1 192 107 8.40628788661
162 3 1 4 194 108 11.85134597906
163 3 4 1 194 108 11.85134597906
164 3 1 6 198 110 -0.6423798768381
165 3 6 1 198 110 -0.6423798768381
166 3 2 4 205 114 7.424766025865
167 3 4 2 205 114 7.424766025865
168 3 2 5 207 115 7.745020912155
169 3 5 2 207 115 7.745020912155
170 3 2 6 209 116 2.192060611012
171 3 6 2 209 116 2.192060611012
172 3 2 7 211 117 4.156307031196
173 3 7 2 211 117 4.156307031196
174 3 3 3 213 118 11.16476779496
175 3 3 4 214 119 -4.327907685684
176 3 4 3 214 119 -4.327907685684
177 3 3 5 216 120 -3.767514498504
178 3 5 3 216 120 -3.767514498504
179 3 3 7 220 122 -0.1797335919557
180 3 7 3 220 122 -0.1797335919557
181 3 4 4 222 123 -5.906500590057
182 3 4 5 223 124 -5.179992230811
183 3 5 4 223 124 -5.179992230811
184 3 4 7 227 126 3.982056058707
185 3 7 4 227 126 3.982056058707
186 3 5 5 229 127 -8.998759421541
187 3 5 6 230 128 0.796808698589
188 3 6 5 230 128 0.796808698589
189 3 6 6 234 130 -0.2758660131513
190 3 6 7 235 131 3.990159986627
191 3 7 6 235 131 3.990159986627
192 3 7 7 237 132 2.31321506116
193 4 0 1 238 133 -7.114945714834
194 4 1 0 238 133 -7.114945714834
195 4 0 3 242 135 8.525793793288
196 4 3 0 242 135 8.525793793288
197 4 0 4 244 136 2.41199390358
198 4 4 0 244 136 2.41199390358
199 4 0 5 246 137 5.693917852834
200 4 5 0 246 137 5.693917852834
201 4 0 7 250 139 -0.1055414006364
202 4 7 0 250 139 -0.1055414006364
203 4 1 2 253 141 -9.989057563335
204 4 2 1 253 141 -9.989057563335
205 4 1 3 255 142 6.301516976599
206 4 3 1 255 142 6.301516976599
207 4 1 4 257 143 -16.8817485692
208 4 4 1 257 143 -16.8817485692
209 4 1 6 261 145 -2.260712079867
210 4 6 1 261 145 -2.260712079867
211 4 1 7 263 146 -5.598362990494
212 4 7 1 263 146 -5.598362990494
213 4 2 2 265 147 -9.408832170988
214 4 2 3 266 148 9.017829424089
215 4 3 2 266 148 9.017829424089
216 4 2 4 268 149 -6.167223359439
217 4 4 2 268 149 -6.167223359439
218 4 2 5 270 150 3.23373341225
219 4 5 2 270 150 3.23373341225
220 4 2 6 272 151 -4.991022756718
221 4 6 2 272 151 -4.991022756718
222 4 2 7 274 152 -1.827434153402
223 4 7 2 274 152 -1.827434153402
224 4 3 3 276 153 4.837062026132
225 4 3 5 279 155 -1.663873619222
226 4 5 3 279 155 -1.663873619222
227 4 3 6 281 156 -0.833307761751
228 4 6 3 281 156 -0.833307761751
229 4 3 7 283 157 -4.614645872139
230 4 7 3 283 157 -4.614645872139
231 4 4 4 285 158 2.14049293512
232 4 4 5 286 159 0.3234472491721
233 4 5 4 286 159 0.3234472491721
234 4 4 6 288 160 -3.682663940713
235 4 6 4 288 160 -3.682663940713
236 4 4 7 290 161 -4.230627401997
237 4 7 4 290 161 -4.230627401997
238 4 5 5 292 162 -3.548920941216
239 4 5 6 293 163 -1.250085390302
240 4 6 5 293 163 -1.250085390302
241 4 5 7 295 164 -3.160932948742
242 4 7 5 295 164 -3.160932948742
243 4 6 6 297 165 -2.967586412738
244 4 6 7 298 166 -1.760944304412
245 4 7 6 298 166 -1.760944304412
246 4 7 7 300 167 -2.593746515032
247 5 0 1 301 168 15.94685890747
248 5 1 0 301 168 15.94685890747
249 5 0 2 303 169 -0.481029220391
250 5 2 0 303 169 -0.481029220391
251 5 0 3 305 170 1.148983126383
252 5 3 0 305 170 1.148983126383
253 5 0 6 311 173 0.8072020350425
254 5 6 0 311 173 0.8072020350425
255 5 0 7 313 174 -2.082141557953
256 5 7 0 313 174 -2.082141557953
257 5 1 1 315 175 22.72550877128
258 5 1 2 316 176 17.42933242313
259 5 2 1 316 176 17.42933242313
260 5 1 5 322 179 -4.833747923727
261 5 5 1 322 179 -4.833747923727
262 5 1 6 324 180 3.730404750938
263 5 6 1 324 180 3.730404750938
264 5 2 2 328 182 -0.6196772152918
265 5 2 4 331 184 3.303408477129
266 5 4 2 331 184 3.303408477129
267 5 2 5 333 185 1.716070460996
268 5 5 2 333 185 1.716070460996
269 5 2 6 335 186 3.235035162568
270 5 6 2 335 186 3.235035162568
271 5 2 7 337 187 -2.067754782445
272 5 7 2 337 187 -2.067754782445
273 5 3 3 339 188 -9.977274612269
274 5 3 4 340 189 -9.536865977528
275 5 4 3 340 189 -9.536865977528
276 5 3 5 342 190 -7.694577578118
277 5 5 3 342 190 -7.694577578118
278 5 3 6 344 191 2.243047607272
279 5 6 3 344 191 2.243047607272
280 5 4 4 348 193 -0.190227123625
281 5 4 5 349 194 -4.994137515629
282 5 5 4 349 194 -4.994137515629
283 5 4 6 351 195 1.97802861695
284 5 6 4 351 195 1.97802861695
285 5 4 7 353 196 -0.7722384649433
286 5 7 4 353 196 -0.7722384649433
287 5 5 5 355 197 -4.935529870807
288 5 5 6 356 198 1.614742622004
289 5 6 5 356 198 1.614742622004
290 5 5 7 358 199 0.3659009229635
291 5 7 5 358 199 0.3659009229635
292 5 6 6 360 200 0.08558746066035
293 5 6 7 361 201 1.569273480635
294 5 7 6 361 201 1.569273480635
295 5 7 7 363 202 1.132461203639
296 6 0 1 364 203 -6.798316657466
297 6 1 0 364 203 -6.798316657466
298 6 0 2 366 204 -2.469381567121
299 6 2 0 366 204 -2.469381567121
300 6 0 4 370 206 -0.9694249681511
301 6 4 0 370 206 -0.9694249681511
302 6 0 5 372 207 2.364002496484
303 6 5 0 372 207 2.364002496484
304 6 0 6 374 208 0.2654689430074
305 6 6 0 374 208 0.2654689430074
306 6 0 7 376 209 0.7414466075124
307 6 7 0 376 209 0.7414466075124
308 6 1 1 378 210 -18.80101569012
309 6 1 2 379 211 -5.814496563399
310 6 2 1 379 211 -5.814496563399
311 6 1 3 381 212 -6.787597244854
312 6 3 1 381 212 -6.787597244854
313 6 1 4 383 213 -4.555986868126
314 6 4 1 383 213 -4.555986868126
315 6 1 5 385 214 -0.07795507992233
316 6 5 1 385 214 -0.07795507992233
317 6 1 6 387 215 4.602410688309
318 6 6 1 387 215 4.602410688309
319 6 2 2 391 217 -7.049081667149
320 6 2 3 392 218 2.241628286768
321 6 3 2 392 218 2.241628286768
322 6 2 4 394 219 -3.939721332632
323 6 4 2 394 219 -3.939721332632
324 6 2 5 396 220 4.511397662318
325 6 5 2 396 220 4.511397662318
326 6 2 6 398 221 -0.2748817353516
327 6 6 2 398 221 -0.2748817353516
328 6 2 7 400 222 1.609171468401
329 6 7 2 400 222 1.609171468401
330 6 3 3 402 223 0.1301550998006
331 6 3 4 403 224 2.301309673296
332 6 4 3 403 224 2.301309673296
333 6 3 5 405 225 2.927319073601
334 6 5 3 405 225 2.927319073601
335 6 3 6 407 226 4.445848002374
336 6 6 3 407 226 4.445848002374
337 6 3 7 409 227 1.387583608418
338 6 7 3 409 227 1.387583608418
339 6 4 4 411 228 -0.01405719702082
340 6 4 5 412 229 3.803524200568
341 6 5 4 412 229 3.803524200568
342 6 4 6 414 230 -0.03906700421583
343 6 6 4 414 230 -0.03906700421583
344 6 4 7 416 231 0.7165954263759
345 6 7 4 416 231 0.7165954263759
346 6 5 5 418 232 2.571155811315
347 6 5 6 419 233 2.660065535176
348 6 6 5 419 233 2.660065535176
349 6 5 7 421 234 0.8853817341614
350 6 7 5 421 234 0.8853817341614
351 6 6 6 423 235 -0.2299335367949
352 6 6 7 424 236 0.5022582691539
353 6 7 6 424 236 0.5022582691539
354 6 7 7 426 237 0.007979209241288
355 7 0 1 427 238 -4.089094156453
356 7 1 0 427 238 -4.089094156453
357 7 0 2 429 239 1.721999378332
358 7 2 0 429 239 1.721999378332
359 7 0 3 431 240 -5.741568277049
360 7 3 0 431 240 -5.741568277049
361 7 0 5 435 242 -5.704135828086
362 7 5 0 435 242 -5.704135828086
363 7 0 6 437 243 -1.02916410763
364 7 6 0 437 243 -1.02916410763
365 7 0 7 439 244 -4.2176653637
366 7 7 0 439 244 -4.2176653637
367 7 1 3 444 247 4.668281869731
368 7 3 1 444 247 4.668281869731
369 7 1 4 446 248 0.6212958491671
370 7 4 1 446 248 0.6212958491671
371 7 1 5 448 249 -0.3276131290058
372 7 5 1 448 249 -0.3276131290058
373 7 1 6 450 250 -0.9612116489864
374 7 6 1 450 250 -0.9612116489864
375 7 1 7 452 251 -3.061253345191
376 7 7 1 452 251 -3.061253345191
377 7 2 2 454 252 7.275428973754
378 7 2 3 455 253 -1.664305278067
379 7 3 2 455 253 -1.664305278067
380 7 2 4 457 254 4.12974373729
381 7 4 2 457 254 4.12974373729
382 7 2 5 459 255 -4.213053304792
383 7 5 2 459 255 -4.213053304792
384 7 2 6 461 256 0.1661081757015
385 7 6 2 461 256 0.1661081757015
386 7 2 7 463 257 -5.256237237927
387 7 7 2 463 257 -5.256237237927
388 7 3 3 465 258 8.741897909735
389 7 3 4 466 259 -0.006552318020221
390 7 4 3 466 259 -0.006552318020221
391 7 3 5 468 260 3.53029100186
392 7 5 3 468 260 3.53029100186
393 7 3 7 472 262 -0.6132129871708
394 7 7 3 472 262 -0.6132129871708
395 7 4 4 474 263 2.04114558565
396 7 4 5 475 264 -1.847636851773
397 7 5 4 475 264 -1.847636851773
398 7 4 6 477 265 0.2271469045293
399 7 6 4 477 265 0.2271469045293
400 7 4 7 479 266 -2.634279595769
401 7 7 4 479 266 -2.634279595769
402 7 5 5 481 267 1.64664568368
403 7 5 6 482 268 -0.6776630021071
404 7 6 5 482 268 -0.6776630021071
405 7 5 7 484 269 -0.1349870144447
406 7 7 5 484 269 -0.1349870144447
407 7 6 6 486 270 -0.4920039856371
408 7 6 7 487 271 -0.7602601952567
409 7 7 6 487 271 -0.7602601952567
410 7 7 7 489 272 -0.03303154766506

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 8.329694959321
1 1 0 1 0 0 8.329694959321
2 0 1 2 2 1 -0.4342425227307
3 1 0 2 2 1 -0.4342425227307
4 0 1 3 4 2 -9.657452642509
5 1 0 3 4 2 -9.657452642509
6 0 1 4 6 3 -9.49525701949
7 1 0 4 6 3 -9.49525701949
8 0 1 5 8 4 -10.15947695961
9 1 0 5 8 4 -10.15947695961
10 0 1 6 10 5 -3.926783201807
11 1 0 6 10 5 -3.926783201807
12 0 1 7 12 6 1.282271714699
13 1 0 7 12 6 1.282271714699
14 0 2 1 14 7 -23.85126964706
15 2 0 1 14 7 -23.85126964706
16 0 2 2 16 8 -35.45208337964
17 2 0 2 16 8 -35.45208337964
18 0 2 3 18 9 -19.7886175535
19 2 0 3 18 9 -19.7886175535
20 0 2 4 20 10 -13.62584604283
21 2 0 4 20 10 -13.62584604283
22 0 2 6 24 12 -3.633779471438
23 2 0 6 24 12 -3.633779471438
24 0 2 7 26 13 3.007311704059
25 2 0 7 26 13 3.007311704059
26 0 3 2 30 15 -6.01993465857
27 3 0 2 30 15 -6.01993465857
28 0 3 3 32 16 -1.008485388747
29 3 0 3 32 16 -1.008485388747
30 0 3 4 34 17 0.6880835469907
31 3 0 4 34 17 0.6880835469907
32 0 3 5 36 18 0.4104132098762
33 3 0 5 36 18 0.4104132098762
34 0 3 6 38 19 -0.6982861800516
35 3 0 6 38 19 -0.6982861800516
36 0 3 7 40 20 2.270462558219
37 3 0 7 40 20 2.270462558219
38 0 4 1 42 21 -20.39799715089
39 4 0 1 42 21 -20.39799715089
40 0 4 2 44 22 -18.57884699712
41 4 0 2 44 22 -18.57884699712
42 0 4 3 46 23 -3.736325907309
43 4 0 3 46 23 -3.736325907309
44 0 4 4 48 24 0.5316563889071
45 4 0 4 48 24 0.5316563889071
46 0 4 5 50 25 2.201444065975
47 4 0 5 50 25 2.201444065975
48 0 4 6 52 26 -3.098451979447
49 4 0 6 52 26 -3.098451979447
50 0 4 7 54 27 0.1892475468942
51 4 0 7 54 27 0.1892475468942
52 0 5 1 56 28 2.733629276042
53 5 0 1 56 28 2.733629276042
54 0 5 2 58 29 2.114077652496
55 5 0 2 58 29 2.114077652496
56 0 5 3 60 30 0.07241127240037
57 5 0 3 60 30 0.07241127240037
58 0 5 4 62 31 1.21334066917
59 5 0 4 62 31 1.21334066917
60 0 5 5 64 32 -3.265965801025
61 5 0 5 64 32 -3.265965801025
62 0 5 6 66 33 0.2874011185931
63 5 0 6 66 33 0.2874011185931
64 0 5 7 68 34 -1.168014267437
65 5 0 7 68 34 -1.168014267437
66 0 6 1 70 35 -11.98175365854
67 6 0 1 70 35 -11.98175365854
68 0 6 2 72 36 -8.026816236818
69 6 0 2 72 36 -8.026816236818
70 0 6 3 74 37 -7.841723976948
71 6 0 3 74 37 -7.841723976948
72 0 6 4 76 38 -3.090983007694
73 6 0 4 76 38 -3.090983007694
74 0 6 5 78 39 -2.276624254197
75 6 0 5 78 39 -2.276624254197
76 0 6 6 80 40 -0.2695587844514
77 6 0 6 80 40 -0.2695587844514
78 0 6 7 82 41 -0.5304403425434
79 6 0 7 82 41 -0.5304403425434
80 0 7 1 84 42 0.7683994194699
81 7 0 1 84 42 0.7683994194699
82 0 7 2 86 43 -2.418262782831
83 7 0 2 86 43 -2.418262782831
84 0 7 3 88 44 -3.022008826191
85 7 0 3 88 44 -3.022008826191
86 0 7 4 90 45 -2.22195460735
87 7 0 4 90 45 -2.22195460735
88 0 7 5 92 46 -1.869120473579
89 7 0 5 92 46 -1.869120473579
90 0 7 6 94 47 2.284506730096
91 7 0 6 94 47 2.284506730096
92 0 7 7 96 48 0.5427144856226
93 7 0 7 96 48 0.5427144856226
94 1 1 1 99 50 -30.55353154706
95 1 1 2 100 51 -24.86979160248
96 1 1 6 104 55 -10.16719877915
97 1 1 7 105 56 9.671882339385
98 1 2 0 106 57 -39.1988530238
99 2 1 0 106 57 -39.1988530238
100 1 2 1 108 58 -45.46027163009
101 2 1 1 108 58 -45.46027163009
102 1 2 2 110 59 -41.81649045208
103 2 1 2 110 59 -41.81649045208
104 1 2 5 116 62 3.068005553351
105 2 1 5 116 62 3.068005553351
106 1 2 6 118 63 -3.657305064676
107 2 1 6 118 63 -3.657305064676
108 1 3 0 122 65 -6.697377032497
109 3 1 0 122 65 -6.697377032497
110 1 3 2 126 67 3.74779723697
111 3 1 2 126 67 3.74779723697
112 1 3 3 128 68 44.440405724
113 3 1 3 128 68 44.440405724
114 1 3 4 130 69 15.15131606241
115 3 1 4 130 69 15.15131606241
116 1 3 5 132 70 12.6600493174
117 3 1 5 132 70 12.6600493174
118 1 3 7 136 72 2.594500514717
119 3 1 7 136 72 2.594500514717
120 1 4 0 138 73 -13.99539817341
121 4 1 0 138 73 -13.99539817341
122 1 4 1 140 74 -12.77129030431
123 4 1 1 140 74 -12.77129030431
124 1 4 3 144 76 -2.610873114348
125 4 1 3 144 76 -2.610873114348
126 1 4 4 146 77 2.408748565072
127 4 1 4 146 77 2.408748565072
128 1 4 5 148 78 -7.324546064381
129 4 1 5 148 78 -7.324546064381
130 1 4 7 152 80 -7.581818385818
131 4 1 7 152 80 -7.581818385818
132 1 5 0 154 81 11.76278701181
133 5 1 0 154 81 11.76278701181
134 1 5 2 158 83 18.2982820236
135 5 1 2 158 83 18.2982820236
136 1 5 3 160 84 0.1091762298445
137 5 1 3 160 84 0.1091762298445
138 1 5 5 164 86 -4.506067192055
139 5 1 5 164 86 -4.506067192055
140 1 5 6 166 87 7.494975171393
141 5 1 6 166 87 7.494975171393
142 1 6 0 170 89 -3.108170929589
143 6 1 0 170 89 -3.108170929589
144 1 6 1 172 90 -30.28105386368
145 6 1 1 172 90 -30.28105386368
146 1 6 2 174 91 12.11727697607
147 6 1 2 174 91 12.11727697607
148 1 6 3 176 92 -4.543267522714
149 6 1 3 176 92 -4.543267522714
150 1 6 4 178 93 23.56807688129
151 6 1 4 178 93 23.56807688129
152 1 6 5 180 94 8.645390767852
153 6 1 5 180 94 8.645390767852
154 1 6 6 182 95 13.91980718981
155 6 1 6 182 95 13.91980718981
156 1 7 0 186 97 2.871926968891
157 7 1 0 186 97 2.871926968891
158 1 7 2 190 99 5.633196087958
159 7 1 2 190 99 5.633196087958
160 1 7 3 192 100 -3.429556628029
161 7 1 3 192 100 -3.429556628029
162 1 7 4 194 101 -2.321808393078
163 7 1 4 194 101 -2.321808393078
164 1 7 5 196 102 0.8757643067241
165 7 1 5 196 102 0.8757643067241
166 1 7 6 198 103 4.031313028831
167 7 1 6 198 103 4.031313028831
168 1 7 7 200 104 1.045680189486
169 7 1 7 200 104 1.045680189486
170 2 2 0 202 105 -3.688922017942
171 2 2 1 203 106 -33.94702226397
172 2 2 2 204 107 -72.40894104367
173 2 2 3 205 108 -14.55901747498
174 2 2 4 206 109 -19.68831458868
175 2 2 5 207 110 18.61176666644
176 2 2 6 208 111 -4.027201837263
177 2 2 7 209 112 12.29811979655
178 2 3 0 210 113 -12.75521352755
179 3 2 0 210 113 -12.75521352755
180 2 3 3 216 116 29.96768562664
181 3 2 3 216 116 29.96768562664
182 2 3 4 218 117 18.07776469591
183 3 2 4 218 117 18.07776469591
184 2 3 5 220 118 11.61311307773
185 3 2 5 220 118 11.61311307773
186 2 3 6 222 119 1.424933829644
187 3 2 6 222 119 1.424933829644
188 2 3 7 224 120 1.724581687423
189 3 2 7 224 120 1.724581687423
190 2 4 0 226 121 0.104939763639
191 4 2 0 226 121 0.104939763639
192 2 4 1 228 122 -7.056001750949
193 4 2 1 228 122 -7.056001750949
194 2 4 2 230 123 -30.83582866905
195 4 2 2 230 123 -30.83582866905
196 2 4 3 232 124 12.34459015727
197 4 2 3 232 124 12.34459015727
198 2 4 5 236 126 10.63709604099
199 4 2 5 236 126 10.63709604099
200 2 4 6 238 127 -5.76722268665
201 4 2 6 238 127 -5.76722268665
202 2 4 7 240 128 3.776079530109
203 4 2 7 240 128 3.776079530109
204 2 5 0 242 129 -5.948108911591
205 5 2 0 242 129 -5.948108911591
206 2 5 1 244 130 2.639825819988
207 5 2 1 244 130 2.639825819988
208 2 5 2 246 131 2.260790880429
209 5 2 2 246 131 2.260790880429
210 2 5 3 248 132 3.788676884819
211 5 2 3 248 132 3.788676884819
212 2 5 4 250 133 0.5655762231498
213 5 2 4 250 133 0.5655762231498
214 2 5 5 252 134 -8.255174391303
215 5 2 5 252 134 -8.255174391303
216 2 5 6 254 135 -0.5393407945268
217 5 2 6 254 135 -0.5393407945268
218 2 5 7 256 136 -3.94110226377
219 5 2 7 256 136 -3.94110226377
220 2 6 0 258 137 -0.1835491873559
221 6 2 0 258 137 -0.1835491873559
222 2 6 1 260 138 -4.009614465753
223 6 2 1 260 138 -4.009614465753
224 2 6 2 262 139 -9.934336830758
225 6 2 2 262 139 -9.934336830758
226 2 6 3 264 140 -1.816268633545
227 6 2 3 264 140 -1.816268633545
228 2 6 4 266 141 -3.332168521842
229 6 2 4 266 141 -3.332168521842
230 2 6 5 268 142 1.293467344585
231 6 2 5 268 142 1.293467344585
232 2 6 6 270 143 0.4304661511932
233 6 2 6 270 143 0.4304661511932
234 2 6 7 272 144 1.196136297276
235 6 2 7 272 144 1.196136297276
236 2 7 0 274 145 0.4713870591651
237 7 2 0 274 145 0.4713870591651
238 2 7 2 278 147 -1.094866120017
239 7 2 2 278 147 -1.094866120017
240 2 7 3 280 148 -3.161443260397
241 7 2 3 280 148 -3.161443260397
242 2 7 4 282 149 -1.255824486983
243 7 2 4 282 149 -1.255824486983
244 2 7 5 284 150 -2.980534836643
245 7 2 5 284 150 -2.980534836643
246 2 7 6 286 151 4.499203851116
247 7 2 6 286 151 4.499203851116
248 2 7 7 288 152 0.4271379631585
249 7 2 7 288 152 0.4271379631585
250 3 3 1 291 154 46.80910554471
251 3 3 2 292 155 18.90227124507
252 3 3 3 293 156 51.6989432994
253 3 3 4 294 157 -1.142366661517
254 3 3 6 296 159 -4.497415286435
255 3 3 7 297 160 -3.978031150886
256 3 4 1 300 162 8.842137798202
257 4 3 1 300 162 8.842137798202
258 3 4 2 302 163 9.991600337903
259 4 3 2 302 163 9.991600337903
260 3 4 4 306 165 -1.156374312543
261 4 3 4 306 165 -1.156374312543
262 3 4 5 308 166 -12.98795657183
263 4 3 5 308 166 -12.98795657183
264 3 4 6 310 167 -2.710851766757
265 4 3 6 310 167 -2.710851766757
266 3 4 7 312 168 -6.014489820631
267 4 3 7 312 168 -6.014489820631
268 3 5 0 314 169 1.481240027554
269 5 3 0 314 169 1.481240027554
270 3 5 1 316 170 0.9708225893533
271 5 3 1 316 170 0.9708225893533
272 3 5 2 318 171 -1.979896429092
273 5 3 2 318 171 -1.979896429092
274 3 5 3 320 172 -9.965900520009
275 5 3 3 320 172 -9.965900520009
276 3 5 4 322 173 -18.80227384981
277 5 3 4 322 173 -18.80227384981
278 3 5 5 324 174 -13.95248050427
279 5 3 5 324 174 -13.95248050427
280 3 5 6 326 175 0.3257659538271
281 5 3 6 326 175 0.3257659538271
282 3 5 7 328 176 -2.767272153763
283 5 3 7 328 176 -2.767272153763
284 3 6 0 330 177 0.6212220931927
285 6 3 0 330 177 0.6212220931927
286 3 6 1 332 178 -8.016851943028
287 6 3 1 332 178 -8.016851943028
288 3 6 2 334 179 14.28232495174
289 6 3 2 334 179 14.28232495174
290 3 6 3 336 180 4.925834198545
291 6 3 3 336 180 4.925834198545
292 3 6 4 338 181 19.14349611327
293 6 3 4 338 181 19.14349611327
294 3 6 5 340 182 9.109938312017
295 6 3 5 340 182 9.109938312017
296 3 6 6 342 183 10.56193484035
297 6 3 6 342 183 10.56193484035
298 3 6 7 344 184 2.068441409831
299 6 3 7 344 184 2.068441409831
300 3 7 0 346 185 -0.1676815094108
301 7 3 0 346 185 -0.1676815094108
302 3 7 1 348 186 0.3505291992183
303 7 3 1 348 186 0.3505291992183
304 3 7 3 352 188 -2.90387515355
305 7 3 3 352 188 -2.90387515355
306 3 7 4 354 189 -4.859058125139
307 7 3 4 354 189 -4.859058125139
308 3 7 5 356 190 0.03474152418278
309 7 3 5 356 190 0.03474152418278
310 3 7 6 358 191 1.96130591898
311 7 3 6 358 191 1.96130591898
312 3 7 7 360 192 0.1122616524893
313 7 3 7 360 192 0.1122616524893
314 4 4 0 362 193 7.525291598643
315 4 4 2 364 195 -5.171452261873
316 4 4 3 365 196 6.646236556356
317 4 4 4 366 197 0.8202906960132
318 4 4 5 367 198 -3.555750872463
319 4 4 6 368 199 -6.781987255609
320 4 5 0 370 201 -2.707273510933
321 5 4 0 370 201 -2.707273510933
322 4 5 2 374 203 -1.636080769984
323 5 4 2 374 203 -1.636080769984
324 4 5 3 376 204 -10.13261040215
325 5 4 3 376 204 -10.13261040215
326 4 5 4 378 205 -8.279332618097
327 5 4 4 378 205 -8.279332618097
328 4 5 5 380 206 -12.00837070208
329 5 4 5 380 206 -12.00837070208
330 4 5 6 382 207 -0.5963594549475
331 5 4 6 382 207 -0.5963594549475
332 4 5 7 384 208 -3.161207428726
333 5 4 7 384 208 -3.161207428726
334 4 6 0 386 209 0.7210045693365
335 6 4 0 386 209 0.7210045693365
336 4 6 1 388 210 4.841848682041
337 6 4 1 388 210 4.841848682041
338 4 6 2 390 211 -2.786159099643
339 6 4 2 390 211 -2.786159099643
340 4 6 3 392 212 5.496273215467
341 6 4 3 392 212 5.496273215467
342 4 6 5 396 214 3.430535086904
343 6 4 5 396 214 3.430535086904
344 4 6 6 398 215 1.185132992523
345 6 4 6 398 215 1.185132992523
346 4 6 7 400 216 2.31057413948
347 6 4 7 400 216 2.31057413948
348 4 7 0 402 217 -1.963065449905
349 7 4 0 402 217 -1.963065449905
350 4 7 1 404 218 -0.911392714048
351 7 4 1 404 218 -0.911392714048
352 4 7 2 406 219 -3.405401804995
353 7 4 2 406 219 -3.405401804995
354 4 7 3 408 220 -2.12228762405
355 7 4 3 408 220 -2.12228762405
356 4 7 4 410 221 -0.886782947573
357 7 4 4 410 221 -0.886782947573
358 4 7 6 414 223 3.652182396609
359 7 4 6 414 223 3.652182396609
360 4 7 7 416 224 0.8922157331407
361 7 4 7 416 224 0.8922157331407
362 5 5 0 418 225 0.5789414009898
363 5 5 2 420 227 -5.477302624508
364 5 5 3 421 228 -5.956418397161
365 5 5 4 422 229 -10.2917869427
366 5 5 6 424 231 5.367675545109
367 5 5 7 425 232 2.79020969429
368 5 6 0 426 233 -0.570058300706
369 6 5 0 426 233 -0.570058300706
370 5 6 1 428 234 4.825330957582
371 6 5 1 428 234 4.825330957582
372 5 6 2 430 235 7.110449437606
373 6 5 2 430 235 7.110449437606
374 5 6 3 432 236 9.487678709806
375 6 5 3 432 236 9.487678709806
376 5 6 4 434 237 11.31802833465
377 6 5 4 434 237 11.31802833465
378 5 6 5 436 238 9.817048200573
379 6 5 5 436 238 9.817048200573
380 5 6 6 438 239 7.568945023989
381 6 5 6 438 239 7.568945023989
382 5 6 7 440 240 2.921758636192
383 6 5 7 440 240 2.921758636192
384 5 7 0 442 241 -0.4364230496843
385 7 5 0 442 241 -0.4364230496843
386 5 7 2 446 243 -0.7289631430867
387 7 5 2 446 243 -0.7289631430867
388 5 7 4 450 245 -0.9643689328408
389 7 5 4 450 245 -0.9643689328408
390 5 7 5 452 246 3.084047128809
391 7 5 5 452 246 3.084047128809
392 5 7 6 454 247 2.603686590725
393 7 5 6 454 247 2.603686590725
394 5 7 7 456 248 0.8267076574259
395 7 5 7 456 248 0.8267076574259
396 6 6 0 458 249 -0.05061424892174
397 6 6 1 459 250 6.059555207816
398 6 6 3 461 252 5.977296036268
399 6 6 4 462 253 1.939831117227
400 6 6 5 463 254 4.67802906595
401 6 6 6 464 255 2.676848897163
402 6 6 7 465 256 1.856644157816
403 6 7 0 466 257 0.6950942915639
404 7 6 0 466 257 0.6950942915639
405 6 7 1 468 258 1.777276554826
406 7 6 1 468 258 1.777276554826
407 6 7 2 470 259 3.759714797145
408 7 6 2 470 259 3.759714797145
409 6 7 3 472 260 4.097316373323
410 7 6 3 472 260 4.097316373323
411 6 7 4 474 261 5.615707535794
412 7 6 4 474 261 5.615707535794
413 6 7 5 476 262 4.163833610732
414 7 6 5 476 262 4.163833610732
415 6 7 6 478 263 3.406070204718
416 7 6 6 478 263 3.406070204718
417 6 7 7 480 264 1.135414057828
418 7 6 7 480 264 1.135414057828
419 7 7 0 482 265 0.4145697100128
420 7 7 1 483 266 -0.2194333762438
421 7 7 2 484 267 0.9356932098009
422 7 7 3 485 268 -0.3790171266896
423 7 7 4 486 269 -0.2163596844033
424 7 7 5 487 270 0.3885898192868
425 7 7 6 488 271 0.1350664716271
426 7 7 7 489 272 -0.6850613832195

TRIPLETTYPE PARAMS:
   INDEX: 4 ATOMS: C N O
PAIRS: CN CO NO UNIQUE: -1 TOTAL: 410
     index  |  powers  |  equiv index  |  param index  |       parameter       
   ----------------------------------------------------------------------------
0 0 1 1 0 0 15.73345882931
1 0 1 2 1 1 10.23929358604
2 0 1 3 2 2 -2.862912440408
3 0 1 4 3 3 -3.935814955991
4 0 1 7 6 6 3.015585248045
5 0 2 1 7 7 -4.717452086969
6 0 2 2 8 8 -24.43470036186
7 0 2 3 9 9 -6.865730041884
8 0 2 4 10 10 -11.73502347813
9 0 2 6 12 12 -8.088148241295
10 0 2 7 13 13 -0.04566149951131
11 0 3 1 14 14 -3.397344384709
12 0 3 2 15 15 -13.33938068326
13 0 3 3 16 16 -11.65698613856
14 0 3 4 17 17 -5.922447251695
15 0 3 5 18 18 -0.3159326381153
16 0 3 6 19 19 -5.469533446139
17 0 3 7 20 20 -2.121434484601
18 0 4 1 21 21 -8.755208190907
19 0 4 2 22 22 -16.93253116235
20 0 4 3 23 23 -2.104213491255
21 0 4 4 24 24 0.3978388771171
22 0 4 5 25 25 1.838504675589
23 0 4 6 26 26 -7.152384041698
24 0 4 7 27 27 -6.025780458638
25 0 5 2 29 29 -6.149494364192
26 0 5 3 30 30 -2.386088868789
27 0 5 4 31 31 -2.657816872838
28 0 5 5 32 32 -0.3469970668601
29 0 5 6 33 33 -3.743184057897
30 0 5 7 34 34 -1.533508078614
31 0 6 1 35 35 0.2347060327847
32 0 6 2 36 36 -9.125506790238
33 0 6 3 37 37 -1.70445947859
34 0 6 4 38 38 -3.04020172677
35 0 6 5 39 39 1.020965824446
36 0 6 6 40 40 -2.859308325161
37 0 6 7 41 41 -1.500814078855
38 0 7 1 42 42 -0.06182992738576
39 0 7 2 43 43 -1.742079731539
40 0 7 3 44 44 -2.615173181493
41 0 7 4 45 45 -3.133596729801
42 0 7 5 46 46 -0.541596146352
43 0 7 6 47 47 0.7350902550672
44 0 7 7 48 48 0.3877898876889
45 1 0 1 49 49 18.45635684185
46 1 0 2 50 50 -1.115296239319
47 1 0 3 51 51 -7.225239223188
48 1 0 5 53 53 -0.4851457522878
49 1 0 6 54 54 -7.52146423378
50 1 1 0 56 56 20.68378847645
51 1 1 1 57 57 -36.38371689799
52 1 1 2 58 58 21.36800537916
53 1 1 4 60 60 16.22825652875
54 1 1 6 62 62 -19.28964838612
55 1 2 0 64 64 -0.4599470509397
56 1 2 2 66 66 -0.2129670814392
57 1 2 3 67 67 -9.563994141003
58 1 2 4 68 68 7.183095984916
59 1 2 5 69 69 2.830181549003
60 1 2 6 70 70 -0.9403853419147
61 1 2 7 71 71 -1.078510418477
62 1 3 0 72 72 0.3713744243223
63 1 3 1 73 73 -20.72363333988
64 1 3 3 75 75 0.4588961585801
65 1 3 4 76 76 -3.106409217152
66 1 3 7 79 79 4.436728446038
67 1 4 1 81 81 20.31617054833
68 1 4 2 82 82 8.836735791724
69 1 4 3 83 83 0.681686777265
70 1 4 4 84 84 -6.59383254385
71 1 4 5 85 85 -1.88027101496
72 1 4 6 86 86 7.749105654117
73 1 4 7 87 87 2.92254387888
74 1 5 0 88 88 -2.361126238813
75 1 5 1 89 89 2.748196616737
76 1 5 2 90 90 -6.941691628273
77 1 5 3 91 91 0.4737442648595
78 1 5 5 93 93 6.530607144577
79 1 5 6 94 94 9.211431559097
80 1 5 7 95 95 4.985575656542
81 1 6 0 96 96 -9.046823940201
82 1 6 1 97 97 -8.091849910688
83 1 6 2 98 98 -9.929975279598
84 1 6 6 102 102 2.094549157531
85 1 6 7 103 103 0.001085325463359
86 1 7 1 105 105 4.928854804474
87 1 7 2 106 106 -6.736131096829
88 1 7 3 107 107 -0.07903490812852
89 1 7 5 109 109 2.512440728118
90 1 7 6 110 110 -0.605700472636
91 1 7 7 111 111 0.03858264753507
92 2 0 1 112 112 -39.00266544095
93 2 0 2 113 113 4.491771766966
94 2 0 3 114 114 -12.98920882057
95 2 0 4 115 115 -5.196703486655
96 2 0 5 116 116 -15.91534784265
97 2 0 6 117 117 -8.195185577125
98 2 0 7 118 118 -4.747109960733
99 2 1 0 119 119 -10.25747528646
100 2 1 1 120 120 -40.3375226926
101 2 1 2 121 121 -17.76346653693
102 2 1 3 122 122 -22.59379934116
103 2 1 4 123 123 6.90399967254
104 2 1 6 125 125 -2.284541752993
105 2 2 0 127 127 7.903881694442
106 2 2 1 128 128 -34.26051971731
107 2 2 3 130 130 0.8794297022483
108 2 2 4 131 131 -0.9991637870978
109 2 2 5 132 132 -3.419915286774
110 2 2 6 133 133 -14.06564442684
111 2 2 7 134 134 -2.962238341653
112 2 3 0 135 135 2.573411600689
113 2 3 3 138 138 19.58046176994
114 2 3 4 139 139 28.40106027119
115 2 3 5 140 140 25.42791164612
116 2 3 6 141 141 2.542496031276
117 2 4 0 143 143 3.730353489279
118 2 4 3 146 146 26.18422871928
119 2 4 4 147 147 21.06740940624
120 2 4 5 148 148 14.19537881534
121 2 4 6 149 149 -7.32563647273
122 2 4 7 150 150 -7.560251446562
123 2 5 0 151 151 -6.3116212633
124 2 5 1 152 152 -2.694380005976
125 2 5 2 153 153 -4.429034274429
126 2 5 3 154 154 15.38875489461
127 2 5 4 155 155 13.78890191862
128 2 5 5 156 156 13.86667486002
129 2 5 6 157 157 0.7179619608206
130 2 5 7 158 158 0.5933611517362
131 2 6 0 159 159 -6.471615132109
132 2 6 1 160 160 -9.829446300395
133 2 6 2 161 161 -14.64355720236
134 2 6 4 163 163 -0.4331671302079
135 2 6 5 164 164 4.268728060572
136 2 6 6 165 165 -2.962443406076
137 2 6 7 166 166 -1.657552753753
138 2 7 0 167 167 -5.600136081999
139 2 7 1 168 168 -3.808024231977
140 2 7 2 169 169 -8.127797937147
141 2 7 4 171 171 -3.208453879059
142 2 7 5 172 172 3.555103654168
143 2 7 6 173 173 2.275825286032
144 2 7 7 174 174 2.44743156804
145 3 0 1 175 175 -3.947825717572
146 3 0 2 176 176 -13.75683768621
147 3 0 3 177 177 -14.81589976003
148 3 0 4 178 178 -6.149982155902
149 3 0 6 180 180 -7.158189578166
150 3 0 7 181 181 1.992152279095
151 3 1 1 183 183 -30.2680675842
152 3 1 2 184 184 -6.43509545714
153 3 1 3 185 185 3.396782373203
154 3 1 5 187 187 0.005337311175586
155 3 1 6 188 188 -8.682422218361
156 3 2 1 191 191 6.989081091821
157 3 2 3 193 193 5.219564059228
158 3 2 4 194 194 5.127258092856
159 3 2 5 195 195 11.2236580924
160 3 2 7 197 197 5.187265922907
161 3 3 0 198 198 -4.832586146666
162 3 3 2 200 200 5.522371639371
163 3 3 3 201 201 14.35410983643
164 3 3 4 202 202 -2.989298993604
165 3 3 5 203 203 -1.299710250323
166 3 3 6 204 204 3.814936996729
167 3 3 7 205 205 2.620310992591
168 3 4 0 206 206 -2.806810973614
169 3 4 2 208 208 3.836553000438
170 3 4 3 209 209 -8.259923187382
171 3 4 4 210 210 -3.349737774116
172 3 4 5 211 211 -6.683551504646
173 3 4 6 212 212 4.558963017319
174 3 4 7 213 213 1.413857294741
175 3 5 0 214 214 -2.015322244941
176 3 5 1 215 215 -5.283860541894
177 3 5 3 217 217 -6.122181733061
178 3 5 5 219 219 -3.33217821492
179 3 5 6 220 220 6.54860351609
180 3 5 7 221 221 -0.02727660886425
181 3 6 0 222 222 -5.122873358109
182 3 6 1 223 223 -0.3917160403378
183 3 6 2 224 224 -3.828616878938
184 3 6 3 225 225 3.580477350475
185 3 6 4 226 226 1.668446837214
186 3 6 6 228 228 0.6345378872532
187 3 6 7 229 229 0.3700422633466
188 3 7 0 230 230 1.825830097127
189 3 7 1 231 231 8.841088963877
190 3 7 3 233 233 1.744021773215
191 3 7 4 234 234 0.4829795355965
192 3 7 6 236 236 -0.5274268959109
193 3 7 7 237 237 -0.9643258063014
194 4 0 1 238 238 -7.702780611899
195 4 0 2 239 239 -13.4469640007
196 4 0 3 240 240 -6.666182261581
197 4 0 4 241 241 -9.215773463577
198 4 0 5 242 242 -2.707421604075
199 4 0 6 243 243 -4.905454160883
200 4 0 7 244 244 -1.561673348819
201 4 1 1 246 246 16.13231140269
202 4 1 2 247 247 0.4142184278633
203 4 1 3 248 248 1.767513300524
204 4 1 4 249 249 -14.45682686058
205 4 1 6 251 251 0.2884721151521
206 4 1 7 252 252 4.143614610031
207 4 2 0 253 253 -5.060068079971
208 4 2 2 255 255 -31.86431385135
209 4 2 3 256 256 2.182467048689
210 4 2 4 257 257 -11.65607390585
211 4 2 5 258 258 5.474914059372
212 4 2 6 259 259 -8.628073060947
213 4 2 7 260 260 0.05305849343869
214 4 3 1 262 262 2.485304466029
215 4 3 2 263 263 1.79149619359
216 4 3 4 265 265 -3.184321443485
217 4 3 6 267 267 -0.4416200482618
218 4 3 7 268 268 -0.04500162604994
219 4 4 0 269 269 -0.9153602659887
220 4 4 1 270 270 -9.194434077272
221 4 4 2 271 271 -12.29034866543
222 4 4 4 273 273 3.114814248649
223 4 4 6 275 275 -6.79245891923
224 4 4 7 276 276 -5.153068681398
225 4 5 0 277 277 3.116550139888
226 4 5 2 279 279 8.456909746191
227 4 5 3 280 280 1.00332788877
228 4 5 5 282 282 -1.700261656863
229 4 5 6 283 283 -1.109840211353
230 4 5 7 284 284 0.3238969746073
231 4 6 0 285 285 2.368570625108
232 4 6 1 286 286 7.704248257802
233 4 6 3 288 288 6.451772982971
234 4 6 4 289 289 3.183406859094
235 4 6 5 290 290 4.462124623058
236 4 6 6 291 291 -0.6515110545783
237 4 6 7 292 292 -0.3064860134078
238 4 7 0 293 293 -0.6746086796266
239 4 7 1 294 294 3.776569095305
240 4 7 3 296 296 2.850207646629
241 4 7 4 297 297 -2.461620210146
242 4 7 5 298 298 2.104859219996
243 4 7 6 299 299 1.175817587503
244 4 7 7 300 300 2.215659908435
245 5 0 1 301 301 1.872906291634
246 5 0 2 302 302 -8.467111584642
247 5 0 3 303 303 -5.350207915779
248 5 0 4 304 304 3.484935147353
249 5 0 5 305 305 5.259313585733
250 5 1 0 308 308 7.824106833377
251 5 1 6 314 314 0.5041509979403
252 5 1 7 315 315 0.70007738325
253 5 2 1 317 317 10.13412183756
254 5 2 2 318 318 -2.542110442275
255 5 2 3 319 319 1.67314618484
256 5 2 4 320 320 10.34594576546
257 5 2 5 321 321 8.272300067025
258 5 2 6 322 322 3.553116699418
259 5 2 7 323 323 -1.153193039207
260 5 3 0 324 324 0.46407386821
261 5 3 1 325 325 -8.311647192202
262 5 3 2 326 326 -3.140217568597
263 5 3 3 327 327 -11.33066247649
264 5 3 4 328 328 -7.160849194592
265 5 3 5 329 329 -10.55721307185
266 5 3 6 330 330 1.04064670131
267 5 3 7 331 331 -1.264131370745
268 5 4 0 332 332 1.98218993892
269 5 4 1 333 333 -3.949917804853
270 5 4 2 334 334 5.333567469385
271 5 4 3 335 335 -10.75957328627
272 5 4 4 336 336 3.629235331277
273 5 4 5 337 337 -7.024939405083
274 5 4 6 338 338 2.798852336943
275 5 4 7 339 339 -3.449787675639
276 5 5 0 340 340 3.35383891674
277 5 5 1 341 341 -0.9243137752953
278 5 5 2 342 342 0.1337618311164
279 5 5 3 343 343 -8.633229559956
280 5 5 4 344 344 -2.161443704364
281 5 5 5 345 345 -7.075561190732
282 5 5 6 346 346 0.3917773080569
283 5 5 7 347 347 -2.04745609164
284 5 6 0 348 348 4.354536008447
285 5 6 1 349 349 13.71309204791
286 5 6 2 350 350 8.353605862159
287 5 6 3 351 351 8.038276532724
288 5 6 4 352 352 5.089956627898
289 5 6 5 353 353 -0.4121092717667
290 5 6 6 354 354 -0.2191017444839
291 5 6 7 355 355 -1.788529568077
292 5 7 0 356 356 2.005759664012
293 5 7 1 357 357 5.594218723493
294 5 7 2 358 358 -0.636291989881
295 5 7 3 359 359 -1.492952814469
296 5 7 4 360 360 -1.757286351954
297 5 7 5 361 361 -3.012044828967
298 5 7 6 362 362 -2.119783358736
299 5 7 7 363 363 -1.357716925285
300 6 0 1 364 364 -15.22183344282
301 6 0 2 365 365 -4.133816535699
302 6 0 3 366 366 -8.030474799548
303 6 0 4 367 367 1.784367956393
304 6 0 5 368 368 -4.271897430804
305 6 0 6 369 369 -1.365956647603
306 6 0 7 370 370 -2.690821818917
307 6 1 0 371 371 -2.565464830016
308 6 1 1 372 372 -32.21708176252
309 6 1 3 374 374 -10.55802019606
310 6 1 4 375 375 11.51761587203
311 6 1 6 377 377 1.015585309227
312 6 1 7 378 378 -3.120914117979
313 6 2 0 379 379 1.57637503213
314 6 2 1 380 380 -7.743356673204
315 6 2 2 381 381 -0.05627284925398
316 6 2 3 382 382 1.515084165124
317 6 2 4 383 383 9.129391296697
318 6 2 6 385 385 -1.393756740037
319 6 2 7 386 386 -2.820815274033
320 6 3 0 387 387 -0.1610209876324
321 6 3 1 388 388 -12.20065401407
322 6 3 2 389 389 6.354206451682
323 6 3 3 390 390 3.187257904978
324 6 3 4 391 391 13.24789862827
325 6 3 5 392 392 4.409274992571
326 6 3 6 393 393 0.1918728615386
327 6 3 7 394 394 -2.215136539887
328 6 4 1 396 396 3.937541548346
329 6 4 2 397 397 -0.1786772571761
330 6 4 3 398 398 9.101038529753
331 6 4 4 399 399 6.985725387811
332 6 4 5 400 400 3.723363075802
333 6 4 6 401 401 -1.711754712644
334 6 4 7 402 402 -1.541635525022
335 6 5 0 403 403 -5.018069693127
336 6 5 1 404 404 -11.63257538627
337 6 5 2 405 405 -3.00079755923
338 6 5 4 407 407 2.756262889892
339 6 5 5 408 408 0.8343280745129
340 6 5 6 409 409 -1.897070864978
341 6 5 7 410 410 -0.9709830283429
342 6 6 0 411 411 -2.653573249948
343 6 6 1 412 412 1.304506851498
344 6 6 2 413 413 -3.793811171408
345 6 6 3 414 414 3.661849505438
346 6 6 4 415 415 0.7716831308401
347 6 6 5 416 416 2.071500298572
348 6 6 6 417 417 -0.8022106008274
349 6 6 7 418 418 -0.03689484798323
350 6 7 0 419 419 -2.857070927648
351 6 7 1 420 420 -3.329158673415
352 6 7 2 421 421 -3.166416840115
353 6 7 3 422 422 -0.08542518925363
354 6 7 4 423 423 -1.401956994051
355 6 7 5 424 424 0.1096755783492
356 6 7 6 425 425 -1.075994477517
357 7 0 1 427 427 -1.315753747948
358 7 0 2 428 428 -1.63413868072
359 7 0 3 429 429 -4.572039255841
360 7 0 4 430 430 -0.7445306060051
361 7 0 5 431 431 -1.321052608978
362 7 0 6 432 432 -0.641627108377
363 7 0 7 433 433 -0.5830804681908
364 7 1 0 434 434 -0.486500318074
365 7 1 2 436 436 0.8609512222952
366 7 1 3 437 437 6.073670617954
367 7 1 4 438 438 0.1141736172957
368 7 1 6 440 440 -2.435798234085
369 7 2 0 442 442 -1.575065673102
370 7 2 2 444 444 -1.646903457002
371 7 2 3 445 445 -3.146460537506
372 7 2 5 447 447 -1.740092290248
373 7 2 7 449 449 -1.203761582393
374 7 3 0 450 450 -2.209842173835
375 7 3 1 451 451 4.397411981327
376 7 3 3 453 453 6.694191919706
377 7 3 4 454 454 -0.706719192599
378 7 3 5 455 455 -0.1079799541738
379 7 3 6 456 456 -1.374734088597
380 7 3 7 457 457 0.01989848842496
381 7 4 0 458 458 -0.9966254138091
382 7 4 1 459 459 2.115057714374
383 7 4 2 460 460 1.364798618246
384 7 4 4 462 462 1.600980343
385 7 4 5 463 463 -1.68733786176
386 7 4 6 464 464 0.7729248262767
387 7 4 7 465 465 -1.322104398486
388 7 5 0 466 466 0.7345994228604
389 7 5 1 467 467 4.340893463177
390 7 5 2 468 468 1.513768598265
391 7 5 3 469 469 2.345195687419
392 7 5 5 471 471 -1.52770102179
393 7 5 6 472 472 -1.300722829815
394 7 5 7 473 473 -0.8509032261879
395 7 6 1 475 475 2.578643970247
396 7 6 2 476 476 0.9176627996553
397 7 6 3 477 477 1.180500310639
398 7 6 4 478 478 0.3660869442601
399 7 6 5 479 479 -1.909102087041
400 7 6 6 480 480 -1.079262566808
401 7 6 7 481 481 -1.31363230679
402 7 7 0 482 482 0.5472436017654
403 7 7 1 483 483 2.479646376232
404 7 7 2 484 484 -0.2640358324168
405 7 7 3 485 485 -0.292074520988
406 7 7 4 486 486 -1.648955580317
407 7 7 5 487 487 -2.022960497907
408 7 7 6 488 488 -1.747417277187
409 7 7 7 489 489 -0.6421015587948

TRIPLETTYPE PARAMS:
   INDEX: 5 ATOMS: C O O
PAIRS: CO CO OO UNIQUE: -1 TOTAL: 382
     index  |  powers  |  equiv index  |  param index  |       parameter       
   ----------------------------------------------------------------------------
0 0 1 2 2 1 4.6927625106
1 1 0 2 2 1 4.6927625106
2 0 1 4 6 3 -5.608992371135
3 1 0 4 6 3 -5.608992371135
4 0 1 6 10 5 -3.0244822915
5 1 0 6 10 5 -3.0244822915
6 0 1 7 12 6 -1.807578950055
7 1 0 7 12 6 -1.807578950055
8 0 2 1 14 7 -9.485773113305
9 2 0 1 14 7 -9.485773113305
10 0 2 2 16 8 -15.2201375445
11 2 0 2 16 8 -15.2201375445
12 0 2 5 22 11 12.05859827832
13 2 0 5 22 11 12.05859827832
14 0 2 6 24 12 6.817583649115
15 2 0 6 24 12 6.817583649115
16 0 2 7 26 13 2.822789572342
17 2 0 7 26 13 2.822789572342
18 0 3 1 28 14 0.5156895181079
19 3 0 1 28 14 0.5156895181079
20 0 3 2 30 15 -7.784424172778
21 3 0 2 30 15 -7.784424172778
22 0 3 4 34 17 -4.742498383897
23 3 0 4 34 17 -4.742498383897
24 0 3 5 36 18 4.863017880076
25 3 0 5 36 18 4.863017880076
26 0 3 6 38 19 1.992200190949
27 3 0 6 38 19 1.992200190949
28 0 3 7 40 20 0.3017813460078
29 3 0 7 40 20 0.3017813460078
30 0 4 1 42 21 -0.356649416806
31 4 0 1 42 21 -0.356649416806
32 0 4 2 44 22 -13.58970986707
33 4 0 2 44 22 -13.58970986707
34 0 4 3 46 23 1.034966884958
35 4 0 3 46 23 1.034966884958
36 0 4 4 48 24 -1.269925132766
37 4 0 4 48 24 -1.269925132766
38 0 4 5 50 25 6.360542346809
39 4 0 5 50 25 6.360542346809
40 0 4 6 52 26 4.992328653773
41 4 0 6 52 26 4.992328653773
42 0 4 7 54 27 1.480435363571
43 4 0 7 54 27 1.480435363571
44 0 5 1 56 28 -0.06715440533044
45 5 0 1 56 28 -0.06715440533044
46 0 5 2 58 29 -0.9971683717932
47 5 0 2 58 29 -0.9971683717932
48 0 5 4 62 31 -1.17424789495
49 5 0 4 62 31 -1.17424789495
50 0 5 5 64 32 0.5201624613926
51 5 0 5 64 32 0.5201624613926
52 0 5 6 66 33 -1.907947436737
53 5 0 6 66 33 -1.907947436737
54 0 5 7 68 34 0.236020859517
55 5 0 7 68 34 0.236020859517
56 0 6 2 72 36 -4.107493994323
57 6 0 2 72 36 -4.107493994323
58 0 6 3 74 37 2.089819769135
59 6 0 3 74 37 2.089819769135
60 0 6 4 76 38 -0.08071989892969
61 6 0 4 76 38 -0.08071989892969
62 0 6 5 78 39 3.578349624819
63 6 0 5 78 39 3.578349624819
64 0 6 6 80 40 0.4059531542452
65 6 0 6 80 40 0.4059531542452
66 0 6 7 82 41 1.182430267448
67 6 0 7 82 41 1.182430267448
68 0 7 1 84 42 1.419879734231
69 7 0 1 84 42 1.419879734231
70 0 7 2 86 43 -1.141828370698
71 7 0 2 86 43 -1.141828370698
72 0 7 3 88 44 1.088542351645
73 7 0 3 88 44 1.088542351645
74 0 7 4 90 45 -2.238490562086
75 7 0 4 90 45 -2.238490562086
76 0 7 6 94 47 -2.883229674059
77 7 0 6 94 47 -2.883229674059
78 0 7 7 96 48 -0.6439573630504
79 7 0 7 96 48 -0.6439573630504
80 1 1 0 98 49 14.73955057867
81 1 1 1 99 50 -27.69439816361
82 1 1 5 103 54 26.95443674146
83 1 1 6 104 55 13.97728631465
84 1 2 0 106 57 -18.51377320491
85 2 1 0 106 57 -18.51377320491
86 1 2 2 110 59 -16.28159330279
87 2 1 2 110 59 -16.28159330279
88 1 2 3 112 60 15.50396845297
89 2 1 3 112 60 15.50396845297
90 1 2 4 114 61 -9.028135617969
91 2 1 4 114 61 -9.028135617969
92 1 2 5 116 62 3.031359450884
93 2 1 5 116 62 3.031359450884
94 1 2 6 118 63 -0.838827503029
95 2 1 6 118 63 -0.838827503029
96 1 3 0 122 65 -2.146671670151
97 3 1 0 122 65 -2.146671670151
98 1 3 2 126 67 -17.59553676189
99 3 1 2 126 67 -17.59553676189
100 1 3 3 128 68 8.282433285707
101 3 1 3 128 68 8.282433285707
102 1 3 4 130 69 -3.252236417102
103 3 1 4 130 69 -3.252236417102
104 1 3 5 132 70 7.229651699262
105 3 1 5 132 70 7.229651699262
106 1 3 6 134 71 -0.2829490568792
107 3 1 6 134 71 -0.2829490568792
108 1 3 7 136 72 -3.800400343824
109 3 1 7 136 72 -3.800400343824
110 1 4 1 140 74 1.126019005435
111 4 1 1 140 74 1.126019005435
112 1 4 2 142 75 -0.1879004172521
113 4 1 2 142 75 -0.1879004172521
114 1 4 5 148 78 -7.335901493796
115 4 1 5 148 78 -7.335901493796
116 1 4 6 150 79 0.8895439843419
117 4 1 6 150 79 0.8895439843419
118 1 4 7 152 80 -1.501403757698
119 4 1 7 152 80 -1.501403757698
120 1 5 0 154 81 6.090364342385
121 5 1 0 154 81 6.090364342385
122 1 5 3 160 84 -6.770526265847
123 5 1 3 160 84 -6.770526265847
124 1 5 4 162 85 4.336648034474
125 5 1 4 162 85 4.336648034474
126 1 5 7 168 88 -2.958235509421
127 5 1 7 168 88 -2.958235509421
128 1 6 0 170 89 0.5953311457082
129 6 1 0 170 89 0.5953311457082
130 1 6 1 172 90 -15.3523545551
131 6 1 1 172 90 -15.3523545551
132 1 6 4 178 93 6.769161334302
133 6 1 4 178 93 6.769161334302
134 1 6 5 180 94 10.49456806092
135 6 1 5 180 94 10.49456806092
136 1 6 6 182 95 6.665596268521
137 6 1 6 182 95 6.665596268521
138 1 6 7 184 96 6.736089080769
139 6 1 7 184 96 6.736089080769
140 1 7 1 188 98 6.251179177547
141 7 1 1 188 98 6.251179177547
142 1 7 2 190 99 -2.347533002459
143 7 1 2 190 99 -2.347533002459
144 1 7 3 192 100 4.492754454502
145 7 1 3 192 100 4.492754454502
146 1 7 4 194 101 0.8997298086839
147 7 1 4 194 101 0.8997298086839
148 1 7 5 196 102 5.129253143571
149 7 1 5 196 102 5.129253143571
150 1 7 6 198 103 -1.068545804939
151 7 1 6 198 103 -1.068545804939
152 2 2 0 202 105 10.61093486984
153 2 2 1 203 106 -30.85370067859
154 2 2 2 204 107 -30.00326636133
155 2 2 4 206 109 -1.230669958396
156 2 2 5 207 110 30.7779344239
157 2 2 6 208 111 15.20827208907
158 2 2 7 209 112 6.505873103278
159 2 3 1 212 114 -2.706797803933
160 3 2 1 212 114 -2.706797803933
161 2 3 3 216 116 4.960616875851
162 3 2 3 216 116 4.960616875851
163 2 3 4 218 117 7.094038520341
164 3 2 4 218 117 7.094038520341
165 2 3 6 222 119 8.14227436558
166 3 2 6 222 119 8.14227436558
167 2 3 7 224 120 -2.358169097016
168 3 2 7 224 120 -2.358169097016
169 2 4 2 230 123 -24.89567272962
170 4 2 2 230 123 -24.89567272962
171 2 4 5 236 126 8.944418443103
172 4 2 5 236 126 8.944418443103
173 2 4 6 238 127 8.99591290523
174 4 2 6 238 127 8.99591290523
175 2 5 0 242 129 -2.157541530758
176 5 2 0 242 129 -2.157541530758
177 2 5 1 244 130 1.588185153413
178 5 2 1 244 130 1.588185153413
179 2 5 2 246 131 4.289219125705
180 5 2 2 246 131 4.289219125705
181 2 5 4 250 133 6.507622015099
182 5 2 4 250 133 6.507622015099
183 2 5 5 252 134 -5.53859066564
184 5 2 5 252 134 -5.53859066564
185 2 5 7 256 136 -2.133821835066
186 5 2 7 256 136 -2.133821835066
187 2 6 0 258 137 -0.843971315889
188 6 2 0 258 137 -0.843971315889
189 2 6 1 260 138 -8.066801947451
190 6 2 1 260 138 -8.066801947451
191 2 6 2 262 139 -8.457985056336
192 6 2 2 262 139 -8.457985056336
193 2 6 3 264 140 -4.02387193404
194 6 2 3 264 140 -4.02387193404
195 2 6 4 266 141 -1.822452260507
196 6 2 4 266 141 -1.822452260507
197 2 6 6 270 143 -0.8418265132137
198 6 2 6 270 143 -0.8418265132137
199 2 6 7 272 144 -0.6847488043853
200 6 2 7 272 144 -0.6847488043853
201 2 7 0 274 145 0.02391412031346
202 7 2 0 274 145 0.02391412031346
203 2 7 2 278 147 0.3527802968778
204 7 2 2 278 147 0.3527802968778
205 2 7 3 280 148 -2.564591235986
206 7 2 3 280 148 -2.564591235986
207 2 7 5 284 150 -4.676560942686
208 7 2 5 284 150 -4.676560942686
209 2 7 6 286 151 -3.139850437474
210 7 2 6 286 151 -3.139850437474
211 2 7 7 288 152 -2.808966915836
212 7 2 7 288 152 -2.808966915836
213 3 3 1 291 154 8.050917911003
214 3 3 3 293 156 2.900793352578
215 3 3 4 294 157 13.81257516677
216 3 3 5 295 158 -4.970034184864
217 3 3 7 297 160 -4.009051989473
218 3 4 0 298 161 6.422626233789
219 4 3 0 298 161 6.422626233789
220 3 4 2 302 163 10.15320411617
221 4 3 2 302 163 10.15320411617
222 3 4 3 304 164 -7.037704675351
223 4 3 3 304 164 -7.037704675351
224 3 4 4 306 165 11.81694850838
225 4 3 4 306 165 11.81694850838
226 3 4 5 308 166 -6.532701428459
227 4 3 5 308 166 -6.532701428459
228 3 4 6 310 167 6.840614942674
229 4 3 6 310 167 6.840614942674
230 3 4 7 312 168 -2.143628259478
231 4 3 7 312 168 -2.143628259478
232 3 5 0 314 169 2.305129157452
233 5 3 0 314 169 2.305129157452
234 3 5 1 316 170 -0.3423471962881
235 5 3 1 316 170 -0.3423471962881
236 3 5 2 318 171 -1.376925668006
237 5 3 2 318 171 -1.376925668006
238 3 5 3 320 172 -12.07490273944
239 5 3 3 320 172 -12.07490273944
240 3 5 4 322 173 6.297624158241
241 5 3 4 322 173 6.297624158241
242 3 5 5 324 174 -2.787946101709
243 5 3 5 324 174 -2.787946101709
244 3 5 6 326 175 1.310355146004
245 5 3 6 326 175 1.310355146004
246 3 6 0 330 177 -3.135881708306
247 6 3 0 330 177 -3.135881708306
248 3 6 1 332 178 -3.688720069034
249 6 3 1 332 178 -3.688720069034
250 3 6 2 334 179 -4.562622800393
251 6 3 2 334 179 -4.562622800393
252 3 6 3 336 180 0.5588676690392
253 6 3 3 336 180 0.5588676690392
254 3 6 4 338 181 4.189894246498
255 6 3 4 338 181 4.189894246498
256 3 6 5 340 182 6.157528959137
257 6 3 5 340 182 6.157528959137
258 3 6 6 342 183 5.406011694936
259 6 3 6 342 183 5.406011694936
260 3 6 7 344 184 3.809334977228
261 6 3 7 344 184 3.809334977228
262 3 7 0 346 185 0.07846478719228
263 7 3 0 346 185 0.07846478719228
264 3 7 3 352 188 -3.647966891037
265 7 3 3 352 188 -3.647966891037
266 3 7 4 354 189 2.93084217422
267 7 3 4 354 189 2.93084217422
268 3 7 6 358 191 -0.3652728533888
269 7 3 6 358 191 -0.3652728533888
270 3 7 7 360 192 -0.201853570771
271 7 3 7 360 192 -0.201853570771
272 4 4 0 362 193 4.126166392157
273 4 4 1 363 194 -1.883676234125
274 4 4 2 364 195 -5.603244565265
275 4 4 3 365 196 -5.275495648115
276 4 4 4 366 197 8.369083012046
277 4 4 5 367 198 -2.494526136284
278 4 4 6 368 199 6.478167547969
279 4 4 7 369 200 -4.183112635381
280 4 5 1 372 202 9.024439316814
281 5 4 1 372 202 9.024439316814
282 4 5 2 374 203 1.491884623273
283 5 4 2 374 203 1.491884623273
284 4 5 3 376 204 1.050402560555
285 5 4 3 376 204 1.050402560555
286 4 5 4 378 205 3.60781030666
287 5 4 4 378 205 3.60781030666
288 4 5 6 382 207 0.9506732407623
289 5 4 6 382 207 0.9506732407623
290 4 5 7 384 208 0.6919059229616
291 5 4 7 384 208 0.6919059229616
292 4 6 0 386 209 -3.488016098583
293 6 4 0 386 209 -3.488016098583
294 4 6 1 388 210 6.644194820971
295 6 4 1 388 210 6.644194820971
296 4 6 2 390 211 -9.187160989822
297 6 4 2 390 211 -9.187160989822
298 4 6 3 392 212 2.649777765688
299 6 4 3 392 212 2.649777765688
300 4 6 4 394 213 -2.042623618384
301 6 4 4 394 213 -2.042623618384
302 4 6 5 396 214 -1.183688901365
303 6 4 5 396 214 -1.183688901365
304 4 6 6 398 215 -0.8018827398981
305 6 4 6 398 215 -0.8018827398981
306 4 6 7 400 216 -1.928923457986
307 6 4 7 400 216 -1.928923457986
308 4 7 2 406 219 -1.177165060462
309 7 4 2 406 219 -1.177165060462
310 4 7 3 408 220 -3.777032450546
311 7 4 3 408 220 -3.777032450546
312 4 7 5 412 222 -1.655445193415
313 7 4 5 412 222 -1.655445193415
314 4 7 6 414 223 -0.6295540339389
315 7 4 6 414 223 -0.6295540339389
316 4 7 7 416 224 -0.3852631463562
317 7 4 7 416 224 -0.3852631463562
318 5 5 0 418 225 -7.426127511358
319 5 5 1 419 226 17.89901077786
320 5 5 2 420 227 -20.72085185398
321 5 5 4 422 229 -7.648050864809
322 5 5 5 423 230 6.39464661253
323 5 5 7 425 232 3.479055960567
324 5 6 0 426 233 -3.443849125039
325 6 5 0 426 233 -3.443849125039
326 5 6 1 428 234 12.27996444719
327 6 5 1 428 234 12.27996444719
328 5 6 2 430 235 -5.286867600067
329 6 5 2 430 235 -5.286867600067
330 5 6 3 432 236 6.859788936558
331 6 5 3 432 236 6.859788936558
332 5 6 5 436 238 4.663684713705
333 6 5 5 436 238 4.663684713705
334 5 6 6 438 239 1.374485375231
335 6 5 6 438 239 1.374485375231
336 5 6 7 440 240 1.999052828311
337 6 5 7 440 240 1.999052828311
338 5 7 0 442 241 0.9790867487119
339 7 5 0 442 241 0.9790867487119
340 5 7 2 446 243 -0.893268119535
341 7 5 2 446 243 -0.893268119535
342 5 7 3 448 244 -5.061496204752
343 7 5 3 448 244 -5.061496204752
344 5 7 5 452 246 -0.4274285002969
345 7 5 5 452 246 -0.4274285002969
346 5 7 6 454 247 -0.2770708511422
347 7 5 6 454 247 -0.2770708511422
348 5 7 7 456 248 0.09186989869056
349 7 5 7 456 248 0.09186989869056
350 6 6 0 458 249 1.620218359857
351 6 6 1 459 250 0.6420780998218
352 6 6 2 460 251 0.6168741846049
353 6 6 3 461 252 -2.249613736328
354 6 6 4 462 253 0.4457110290098
355 6 6 5 463 254 -3.168980323201
356 6 6 6 464 255 -0.5026044151094
357 6 6 7 465 256 -1.603803037825
358 6 7 0 466 257 3.420162945621
359 7 6 0 466 257 3.420162945621
360 6 7 1 468 258 -3.87671315648
361 7 6 1 468 258 -3.87671315648
362 6 7 2 470 259 5.212717026728
363 7 6 2 470 259 5.212717026728
364 6 7 3 472 260 -4.232538191185
365 7 6 3 472 260 -4.232538191185
366 6 7 4 474 261 3.572871087261
367 7 6 4 474 261 3.572871087261
368 6 7 5 476 262 -2.152095413277
369 7 6 5 476 262 -2.152095413277
370 6 7 6 478 263 1.105831964046
371 7 6 6 478 263 1.105831964046
372 6 7 7 480 264 -0.6174112870305
373 7 6 7 480 264 -0.6174112870305
374 7 7 0 482 265 2.700174438942
375 7 7 1 483 266 -5.142610698989
376 7 7 2 484 267 3.578708934074
377 7 7 3 485 268 -4.673785731238
378 7 7 4 486 269 1.45599327842
379 7 7 5 487 270 -0.8241010633473
380 7 7 6 488 271 -0.2931800296598
381 7 7 7 489 272 0.02810240076215

TRIPLETTYPE PARAMS:
   INDEX: 6 ATOMS: N N N
PAIRS: NN NN NN UNIQUE: -1 TOTAL: 420
     index  |  powers  |  equiv index  |  param index  |       parameter       
   ----------------------------------------------------------------------------
0 0 1 1 0 0 -25.27784270786
1 1 0 1 0 0 -25.27784270786
2 1 1 0 0 0 -25.27784270786
3 0 1 2 3 1 -8.90027822948
4 1 0 2 3 1 -8.90027822948
5 0 2 1 3 1 -8.90027822948
6 2 0 1 3 1 -8.90027822948
7 1 2 0 3 1 -8.90027822948
8 2 1 0 3 1 -8.90027822948
9 0 1 4 15 3 -1.053583954995
10 1 0 4 15 3 -1.053583954995
11 0 4 1 15 3 -1.053583954995
12 4 0 1 15 3 -1.053583954995
13 1 4 0 15 3 -1.053583954995
14 4 1 0 15 3 -1.053583954995
15 0 1 5 21 4 1.793147309738
16 1 0 5 21 4 1.793147309738
17 0 5 1 21 4 1.793147309738
18 5 0 1 21 4 1.793147309738
19 1 5 0 21 4 1.793147309738
20 5 1 0 21 4 1.793147309738
21 0 1 6 27 5 -13.59419346793
22 1 0 6 27 5 -13.59419346793
23 0 6 1 27 5 -13.59419346793
24 6 0 1 27 5 -13.59419346793
25 1 6 0 27 5 -13.59419346793
26 6 1 0 27 5 -13.59419346793
27 0 2 2 39 7 -45.35709431101
28 2 0 2 39 7 -45.35709431101
29 2 2 0 39 7 -45.35709431101
30 0 2 3 42 8 -20.90335885226
31 2 0 3 42 8 -20.90335885226
32 0 3 2 42 8 -20.90335885226
33 3 0 2 42 8 -20.90335885226
34 2 3 0 42 8 -20.90335885226
35 3 2 0 42 8 -20.90335885226
36 0 2 4 48 9 -22.73828621952
37 2 0 4 48 9 -22.73828621952
38 0 4 2 48 9 -22.73828621952
39 4 0 2 48 9 -22.73828621952
40 2 4 0 48 9 -22.73828621952
41 4 2 0 48 9 -22.73828621952
42 0 2 5 54 10 -5.038777564447
43 2 0 5 54 10 -5.038777564447
44 0 5 2 54 10 -5.038777564447
45 5 0 2 54 10 -5.038777564447
46 2 5 0 54 10 -5.038777564447
47 5 2 0 54 10 -5.038777564447
48 0 2 6 60 11 -5.16916646062
49 2 0 6 60 11 -5.16916646062
50 0 6 2 60 11 -5.16916646062
51 6 0 2 60 11 -5.16916646062
52 2 6 0 60 11 -5.16916646062
53 6 2 0 60 11 -5.16916646062
54 0 2 7 66 12 -1.654113356982
55 2 0 7 66 12 -1.654113356982
56 0 7 2 66 12 -1.654113356982
57 7 0 2 66 12 -1.654113356982
58 2 7 0 66 12 -1.654113356982
59 7 2 0 66 12 -1.654113356982
60 0 3 4 75 14 -5.78386262319
61 3 0 4 75 14 -5.78386262319
62 0 4 3 75 14 -5.78386262319
63 4 0 3 75 14 -5.78386262319
64 3 4 0 75 14 -5.78386262319
65 4 3 0 75 14 -5.78386262319
66 0 3 5 81 15 1.207319515201
67 3 0 5 81 15 1.207319515201
68 0 5 3 81 15 1.207319515201
69 5 0 3 81 15 1.207319515201
70 3 5 0 81 15 1.207319515201
71 5 3 0 81 15 1.207319515201
72 0 3 6 87 16 -9.11206490372
73 3 0 6 87 16 -9.11206490372
74 0 6 3 87 16 -9.11206490372
75 6 0 3 87 16 -9.11206490372
76 3 6 0 87 16 -9.11206490372
77 6 3 0 87 16 -9.11206490372
78 0 3 7 93 17 -4.853403320603
79 3 0 7 93 17 -4.853403320603
80 0 7 3 93 17 -4.853403320603
81 7 0 3 93 17 -4.853403320603
82 3 7 0 93 17 -4.853403320603
83 7 3 0 93 17 -4.853403320603
84 0 4 4 99 18 -2.806774996696
85 4 0 4 99 18 -2.806774996696
86 4 4 0 99 18 -2.806774996696
87 0 4 5 102 19 -5.056616505056
88 4 0 5 102 19 -5.056616505056
89 0 5 4 102 19 -5.056616505056
90 5 0 4 102 19 -5.056616505056
91 4 5 0 102 19 -5.056616505056
92 5 4 0 102 19 -5.056616505056
93 0 4 6 108 20 -4.741332703965
94 4 0 6 108 20 -4.741332703965
95 0 6 4 108 20 -4.741332703965
96 6 0 4 108 20 -4.741332703965
97 4 6 0 108 20 -4.741332703965
98 6 4 0 108 20 -4.741332703965
99 0 4 7 114 21 -8.188032149516
100 4 0 7 114 21 -8.188032149516
101 0 7 4 114 21 -8.188032149516
102 7 0 4 114 21 -8.188032149516
103 4 7 0 114 21 -8.188032149516
104 7 4 0 114 21 -8.188032149516
105 0 5 5 120 22 -4.707267963343
106 5 0 5 120 22 -4.707267963343
107 5 5 0 120 22 -4.707267963343
108 0 5 6 123 23 -6.662597317872
109 5 0 6 123 23 -6.662597317872
110 0 6 5 123 23 -6.662597317872
111 6 0 5 123 23 -6.662597317872
112 5 6 0 123 23 -6.662597317872
113 6 5 0 123 23 -6.662597317872
114 0 5 7 129 24 -4.552808879606
115 5 0 7 129 24 -4.552808879606
116 0 7 5 129 24 -4.552808879606
117 7 0 5 129 24 -4.552808879606
118 5 7 0 129 24 -4.552808879606
119 7 5 0 129 24 -4.552808879606
120 0 6 6 135 25 -2.971492593941
121 6 0 6 135 25 -2.971492593941
122 6 6 0 135 25 -2.971492593941
123 0 6 7 138 26 -3.270431352075
124 6 0 7 138 26 -3.270431352075
125 0 7 6 138 26 -3.270431352075
126 7 0 6 138 26 -3.270431352075
127 6 7 0 138 26 -3.270431352075
128 7 6 0 138 26 -3.270431352075
129 0 7 7 144 27 -2.963671166426
130 7 0 7 144 27 -2.963671166426
131 7 7 0 144 27 -2.963671166426
132 1 1 1 147 28 -166.8130395479
133 1 1 2 148 29 -21.28220427219
134 1 2 1 148 29 -21.28220427219
135 2 1 1 148 29 -21.28220427219
136 1 1 5 157 32 -9.578883499398
137 1 5 1 157 32 -9.578883499398
138 5 1 1 157 32 -9.578883499398
139 1 1 6 160 33 -33.63049567755
140 1 6 1 160 33 -33.63049567755
141 6 1 1 160 33 -33.63049567755
142 1 2 2 166 35 -46.83496812275
143 2 1 2 166 35 -46.83496812275
144 2 2 1 166 35 -46.83496812275
145 1 2 4 175 37 -9.838015951149
146 2 1 4 175 37 -9.838015951149
147 1 4 2 175 37 -9.838015951149
148 4 1 2 175 37 -9.838015951149
149 2 4 1 175 37 -9.838015951149
150 4 2 1 175 37 -9.838015951149
151 1 2 5 181 38 9.196532980456
152 2 1 5 181 38 9.196532980456
153 1 5 2 181 38 9.196532980456
154 5 1 2 181 38 9.196532980456
155 2 5 1 181 38 9.196532980456
156 5 2 1 181 38 9.196532980456
157 1 2 6 187 39 -4.992137373391
158 2 1 6 187 39 -4.992137373391
159 1 6 2 187 39 -4.992137373391
160 6 1 2 187 39 -4.992137373391
161 2 6 1 187 39 -4.992137373391
162 6 2 1 187 39 -4.992137373391
163 1 2 7 193 40 0.7638582403739
164 2 1 7 193 40 0.7638582403739
165 1 7 2 193 40 0.7638582403739
166 7 1 2 193 40 0.7638582403739
167 2 7 1 193 40 0.7638582403739
168 7 2 1 193 40 0.7638582403739
169 1 3 3 199 41 28.2128099344
170 3 1 3 199 41 28.2128099344
171 3 3 1 199 41 28.2128099344
172 1 3 4 202 42 -16.03462910333
173 3 1 4 202 42 -16.03462910333
174 1 4 3 202 42 -16.03462910333
175 4 1 3 202 42 -16.03462910333
176 3 4 1 202 42 -16.03462910333
177 4 3 1 202 42 -16.03462910333
178 1 3 6 214 44 4.08792195976
179 3 1 6 214 44 4.08792195976
180 1 6 3 214 44 4.08792195976
181 6 1 3 214 44 4.08792195976
182 3 6 1 214 44 4.08792195976
183 6 3 1 214 44 4.08792195976
184 1 3 7 220 45 -1.317308651388
185 3 1 7 220 45 -1.317308651388
186 1 7 3 220 45 -1.317308651388
187 7 1 3 220 45 -1.317308651388
188 3 7 1 220 45 -1.317308651388
189 7 3 1 220 45 -1.317308651388
190 1 4 6 235 48 15.27119342729
191 4 1 6 235 48 15.27119342729
192 1 6 4 235 48 15.27119342729
193 6 1 4 235 48 15.27119342729
194 4 6 1 235 48 15.27119342729
195 6 4 1 235 48 15.27119342729
196 1 4 7 241 49 -11.01406444342
197 4 1 7 241 49 -11.01406444342
198 1 7 4 241 49 -11.01406444342
199 7 1 4 241 49 -11.01406444342
200 4 7 1 241 49 -11.01406444342
201 7 4 1 241 49 -11.01406444342
202 1 5 5 247 50 7.500444099601
203 5 1 5 247 50 7.500444099601
204 5 5 1 247 50 7.500444099601
205 1 5 6 250 51 17.10726320139
206 5 1 6 250 51 17.10726320139
207 1 6 5 250 51 17.10726320139
208 6 1 5 250 51 17.10726320139
209 5 6 1 250 51 17.10726320139
210 6 5 1 250 51 17.10726320139
211 1 5 7 256 52 3.921142629882
212 5 1 7 256 52 3.921142629882
213 1 7 5 256 52 3.921142629882
214 7 1 5 256 52 3.921142629882
215 5 7 1 256 52 3.921142629882
216 7 5 1 256 52 3.921142629882
217 1 6 6 262 53 9.877380285653
218 6 1 6 262 53 9.877380285653
219 6 6 1 262 53 9.877380285653
220 1 6 7 265 54 2.506237784315
221 6 1 7 265 54 2.506237784315
222 1 7 6 265 54 2.506237784315
223 7 1 6 265 54 2.506237784315
224 6 7 1 265 54 2.506237784315
225 7 6 1 265 54 2.506237784315
226 1 7 7 271 55 4.26479392933
227 7 1 7 271 55 4.26479392933
228 7 7 1 271 55 4.26479392933
229 2 2 2 274 56 -147.0220908569
230 2 2 3 275 57 -39.39760551513
231 2 3 2 275 57 -39.39760551513
232 3 2 2 275 57 -39.39760551513
233 2 2 4 278 58 -56.41974808492
234 2 4 2 278 58 -56.41974808492
235 4 2 2 278 58 -56.41974808492
236 2 2 6 284 60 -6.249306055723
237 2 6 2 284 60 -6.249306055723
238 6 2 2 284 60 -6.249306055723
239 2 2 7 287 61 -1.889587630432
240 2 7 2 287 61 -1.889587630432
241 7 2 2 287 61 -1.889587630432
242 2 3 3 290 62 5.815433841006
243 3 2 3 290 62 5.815433841006
244 3 3 2 290 62 5.815433841006
245 2 3 4 293 63 0.5847893822923
246 3 2 4 293 63 0.5847893822923
247 2 4 3 293 63 0.5847893822923
248 4 2 3 293 63 0.5847893822923
249 3 4 2 293 63 0.5847893822923
250 4 3 2 293 63 0.5847893822923
251 2 3 5 299 64 7.105868449838
252 3 2 5 299 64 7.105868449838
253 2 5 3 299 64 7.105868449838
254 5 2 3 299 64 7.105868449838
255 3 5 2 299 64 7.105868449838
256 5 3 2 299 64 7.105868449838
257 2 3 6 305 65 5.376032522875
258 3 2 6 305 65 5.376032522875
259 2 6 3 305 65 5.376032522875
260 6 2 3 305 65 5.376032522875
261 3 6 2 305 65 5.376032522875
262 6 3 2 305 65 5.376032522875
263 2 3 7 311 66 -7.238609246861
264 3 2 7 311 66 -7.238609246861
265 2 7 3 311 66 -7.238609246861
266 7 2 3 311 66 -7.238609246861
267 3 7 2 311 66 -7.238609246861
268 7 3 2 311 66 -7.238609246861
269 2 4 4 317 67 0.990796993729
270 4 2 4 317 67 0.990796993729
271 4 4 2 317 67 0.990796993729
272 2 4 7 332 70 -11.46289354637
273 4 2 7 332 70 -11.46289354637
274 2 7 4 332 70 -11.46289354637
275 7 2 4 332 70 -11.46289354637
276 4 7 2 332 70 -11.46289354637
277 7 4 2 332 70 -11.46289354637
278 2 5 5 338 71 -3.844814515324
279 5 2 5 338 71 -3.844814515324
280 5 5 2 338 71 -3.844814515324
281 2 5 7 347 73 -6.425084131879
282 5 2 7 347 73 -6.425084131879
283 2 7 5 347 73 -6.425084131879
284 7 2 5 347 73 -6.425084131879
285 5 7 2 347 73 -6.425084131879
286 7 5 2 347 73 -6.425084131879
287 2 6 7 356 75 -2.115156946854
288 6 2 7 356 75 -2.115156946854
289 2 7 6 356 75 -2.115156946854
290 7 2 6 356 75 -2.115156946854
291 6 7 2 356 75 -2.115156946854
292 7 6 2 356 75 -2.115156946854
293 2 7 7 362 76 -4.531023267015
294 7 2 7 362 76 -4.531023267015
295 7 7 2 362 76 -4.531023267015
296 3 3 4 366 78 -22.94954496769
297 3 4 3 366 78 -22.94954496769
298 4 3 3 366 78 -22.94954496769
299 3 3 5 369 79 -14.66401744769
300 3 5 3 369 79 -14.66401744769
301 5 3 3 369 79 -14.66401744769
302 3 3 6 372 80 23.06736974458
303 3 6 3 372 80 23.06736974458
304 6 3 3 372 80 23.06736974458
305 3 3 7 375 81 -7.817956282501
306 3 7 3 375 81 -7.817956282501
307 7 3 3 375 81 -7.817956282501
308 3 4 4 378 82 14.95310027753
309 4 3 4 378 82 14.95310027753
310 4 4 3 378 82 14.95310027753
311 3 4 5 381 83 -6.250315469861
312 4 3 5 381 83 -6.250315469861
313 3 5 4 381 83 -6.250315469861
314 5 3 4 381 83 -6.250315469861
315 4 5 3 381 83 -6.250315469861
316 5 4 3 381 83 -6.250315469861
317 3 4 6 387 84 18.94611322558
318 4 3 6 387 84 18.94611322558
319 3 6 4 387 84 18.94611322558
320 6 3 4 387 84 18.94611322558
321 4 6 3 387 84 18.94611322558
322 6 4 3 387 84 18.94611322558
323 3 4 7 393 85 -13.15406710881
324 4 3 7 393 85 -13.15406710881
325 3 7 4 393 85 -13.15406710881
326 7 3 4 393 85 -13.15406710881
327 4 7 3 393 85 -13.15406710881
328 7 4 3 393 85 -13.15406710881
329 3 5 5 399 86 -2.942885280096
330 5 3 5 399 86 -2.942885280096
331 5 5 3 399 86 -2.942885280096
332 3 5 6 402 87 20.06393019986
333 5 3 6 402 87 20.06393019986
334 3 6 5 402 87 20.06393019986
335 6 3 5 402 87 20.06393019986
336 5 6 3 402 87 20.06393019986
337 6 5 3 402 87 20.06393019986
338 3 5 7 408 88 -0.8557780822859
339 5 3 7 408 88 -0.8557780822859
340 3 7 5 408 88 -0.8557780822859
341 7 3 5 408 88 -0.8557780822859
342 5 7 3 408 88 -0.8557780822859
343 7 5 3 408 88 -0.8557780822859
344 3 6 6 414 89 9.732175154844
345 6 3 6 414 89 9.732175154844
346 6 6 3 414 89 9.732175154844
347 3 6 7 417 90 3.17582867627
348 6 3 7 417 90 3.17582867627
349 3 7 6 417 90 3.17582867627
350 7 3 6 417 90 3.17582867627
351 6 7 3 417 90 3.17582867627
352 7 6 3 417 90 3.17582867627
353 3 7 7 423 91 2.099987263586
354 7 3 7 423 91 2.099987263586
355 7 7 3 423 91 2.099987263586
356 4 4 4 426 92 25.74466265419
357 4 4 5 427 93 0.9174880953547
358 4 5 4 427 93 0.9174880953547
359 5 4 4 427 93 0.9174880953547
360 4 4 6 430 94 5.470927855387
361 4 6 4 430 94 5.470927855387
362 6 4 4 430 94 5.470927855387
363 4 4 7 433 95 -9.993365334078
364 4 7 4 433 95 -9.993365334078
365 7 4 4 433 95 -9.993365334078
366 4 5 5 436 96 -4.861210921977
367 5 4 5 436 96 -4.861210921977
368 5 5 4 436 96 -4.861210921977
369 4 5 6 439 97 5.646081588827
370 5 4 6 439 97 5.646081588827
371 4 6 5 439 97 5.646081588827
372 6 4 5 439 97 5.646081588827
373 5 6 4 439 97 5.646081588827
374 6 5 4 439 97 5.646081588827
375 4 5 7 445 98 -7.155487875175
376 5 4 7 445 98 -7.155487875175
377 4 7 5 445 98 -7.155487875175
378 7 4 5 445 98 -7.155487875175
379 5 7 4 445 98 -7.155487875175
380 7 5 4 445 98 -7.155487875175
381 4 6 6 451 99 1.615365397779
382 6 4 6 451 99 1.615365397779
383 6 6 4 451 99 1.615365397779
384 4 6 7 454 100 -1.279892587579
385 6 4 7 454 100 -1.279892587579
386 4 7 6 454 100 -1.279892587579
387 7 4 6 454 100 -1.279892587579
388 6 7 4 454 100 -1.279892587579
389 7 6 4 454 100 -1.279892587579
390 4 7 7 460 101 -4.448957638164
391 7 4 7 460 101 -4.448957638164
392 7 7 4 460 101 -4.448957638164
393 5 5 5 463 102 3.843284005983
394 5 5 6 464 103 11.28931251074
395 5 6 5 464 103 11.28931251074
396 6 5 5 464 103 11.28931251074
397 5 5 7 467 104 1.62637657441
398 5 7 5 467 104 1.62637657441
399 7 5 5 467 104 1.62637657441
400 5 6 6 470 105 2.264689483069
401 6 5 6 470 105 2.264689483069
402 6 6 5 470 105 2.264689483069
403 5 6 7 473 106 1.674648310937
404 6 5 7 473 106 1.674648310937
405 5 7 6 473 106 1.674648310937
406 7 5 6 473 106 1.674648310937
407 6 7 5 473 106 1.674648310937
408 7 6 5 473 106 1.674648310937
409 5 7 7 479 107 2.642151364247
410 7 5 7 479 107 2.642151364247
411 7 7 5 479 107 2.642151364247
412 6 6 6 482 108 0.8351614220347
413 6 6 7 483 109 -0.8415677514493
414 6 7 6 483 109 -0.8415677514493
415 7 6 6 483 109 -0.8415677514493
416 6 7 7 486 110 -0.01402321116038
417 7 6 7 486 110 -0.01402321116038
418 7 7 6 486 110 -0.01402321116038
419 7 7 7 489 111 2.770957428895

TRIPLETTYPE PARAMS:
   INDEX: 7 ATOMS: N N O
PAIRS: NN NO NO UNIQUE: -1 TOTAL: 404
     index  |  powers  |  equiv index  |  param index  |       parameter       
   ----------------------------------------------------------------------------
0 0 1 2 1 1 -22.89017561051
1 0 2 1 1 1 -22.89017561051
2 0 1 3 3 2 -2.477202554505
3 0 3 1 3 2 -2.477202554505
4 0 1 4 5 3 -6.479525488543
5 0 4 1 5 3 -6.479525488543
6 0 1 6 9 5 -10.36273086006
7 0 6 1 9 5 -10.36273086006
8 0 1 7 11 6 -1.752796792619
9 0 7 1 11 6 -1.752796792619
10 0 2 2 13 7 -3.155376855451
11 0 2 3 14 8 -13.11624149727
12 0 3 2 14 8 -13.11624149727
13 0 2 5 18 10 -4.94558372327
14 0 5 2 18 10 -4.94558372327
15 0 2 6 20 11 1.997361096285
16 0 6 2 20 11 1.997361096285
17 0 2 7 22 12 -3.853330423577
18 0 7 2 22 12 -3.853330423577
19 0 3 3 24 13 -0.7029581243991
20 0 3 4 25 14 -1.94071874909
21 0 4 3 25 14 -1.94071874909
22 0 3 6 29 16 -3.645453398685
23 0 6 3 29 16 -3.645453398685
24 0 3 7 31 17 -2.896790451979
25 0 7 3 31 17 -2.896790451979
26 0 4 4 33 18 5.886610509746
27 0 4 5 34 19 -1.774752783195
28 0 5 4 34 19 -1.774752783195
29 0 4 6 36 20 -1.989245104446
30 0 6 4 36 20 -1.989245104446
31 0 4 7 38 21 -8.277473666304
32 0 7 4 38 21 -8.277473666304
33 0 5 5 40 22 1.444298821332
34 0 5 6 41 23 -0.07415405650807
35 0 6 5 41 23 -0.07415405650807
36 0 6 7 46 26 0.3926995490472
37 0 7 6 46 26 0.3926995490472
38 0 7 7 48 27 3.222735249501
39 1 0 1 49 28 7.478202877942
40 1 1 0 49 28 7.478202877942
41 1 0 2 51 29 -13.17735412801
42 1 2 0 51 29 -13.17735412801
43 1 0 3 53 30 13.08055166528
44 1 3 0 53 30 13.08055166528
45 1 0 5 57 32 4.522398022885
46 1 5 0 57 32 4.522398022885
47 1 0 6 59 33 -18.20750151492
48 1 6 0 59 33 -18.20750151492
49 1 1 1 63 35 -60.70915537522
50 1 1 3 66 37 23.28972927349
51 1 3 1 66 37 23.28972927349
52 1 1 4 68 38 18.97148441713
53 1 4 1 68 38 18.97148441713
54 1 1 5 70 39 9.303225858013
55 1 5 1 70 39 9.303225858013
56 1 1 6 72 40 -52.64459233549
57 1 6 1 72 40 -52.64459233549
58 1 1 7 74 41 -11.90539744146
59 1 7 1 74 41 -11.90539744146
60 1 2 2 76 42 -32.64390943471
61 1 2 6 83 46 1.352358144447
62 1 6 2 83 46 1.352358144447
63 1 2 7 85 47 -3.853738047595
64 1 7 2 85 47 -3.853738047595
65 1 3 6 92 51 -3.343652355606
66 1 6 3 92 51 -3.343652355606
67 1 3 7 94 52 -7.42553919697
68 1 7 3 94 52 -7.42553919697
69 1 4 5 97 54 4.179789028563
70 1 5 4 97 54 4.179789028563
71 1 4 6 99 55 15.10653901192
72 1 6 4 99 55 15.10653901192
73 1 5 5 103 57 4.939539724335
74 1 5 7 106 59 -2.768588616697
75 1 7 5 106 59 -2.768588616697
76 1 6 6 108 60 4.247943143446
77 1 6 7 109 61 0.6329863202228
78 1 7 6 109 61 0.6329863202228
79 1 7 7 111 62 -0.5281202054073
80 2 0 1 112 63 -3.390013835032
81 2 1 0 112 63 -3.390013835032
82 2 0 2 114 64 -4.247093236236
83 2 2 0 114 64 -4.247093236236
84 2 0 3 116 65 -3.772299558107
85 2 3 0 116 65 -3.772299558107
86 2 0 4 118 66 -12.93540312427
87 2 4 0 118 66 -12.93540312427
88 2 0 5 120 67 -12.93249855369
89 2 5 0 120 67 -12.93249855369
90 2 0 6 122 68 -13.79075974637
91 2 6 0 122 68 -13.79075974637
92 2 0 7 124 69 -4.901732541626
93 2 7 0 124 69 -4.901732541626
94 2 1 1 126 70 -44.56310281921
95 2 1 5 133 74 -17.66259328826
96 2 5 1 133 74 -17.66259328826
97 2 1 7 137 76 0.02643651500006
98 2 7 1 137 76 0.02643651500006
99 2 2 2 139 77 4.815744160468
100 2 2 3 140 78 12.5009983157
101 2 3 2 140 78 12.5009983157
102 2 2 4 142 79 -8.135709428957
103 2 4 2 142 79 -8.135709428957
104 2 2 5 144 80 -2.090774408907
105 2 5 2 144 80 -2.090774408907
106 2 2 6 146 81 -6.424837076692
107 2 6 2 146 81 -6.424837076692
108 2 2 7 148 82 -3.363259096508
109 2 7 2 148 82 -3.363259096508
110 2 3 3 150 83 24.75358361495
111 2 3 4 151 84 7.426081951173
112 2 4 3 151 84 7.426081951173
113 2 3 5 153 85 4.002914460238
114 2 5 3 153 85 4.002914460238
115 2 3 6 155 86 15.19346820052
116 2 6 3 155 86 15.19346820052
117 2 3 7 157 87 4.246676309227
118 2 7 3 157 87 4.246676309227
119 2 4 4 159 88 0.1988719464582
120 2 4 6 162 90 -5.83381566915
121 2 6 4 162 90 -5.83381566915
122 2 4 7 164 91 -9.710832323789
123 2 7 4 164 91 -9.710832323789
124 2 5 6 167 93 8.813009256307
125 2 6 5 167 93 8.813009256307
126 2 5 7 169 94 1.37029213476
127 2 7 5 169 94 1.37029213476
128 2 6 6 171 95 -1.687936189858
129 2 6 7 172 96 2.993487760699
130 2 7 6 172 96 2.993487760699
131 2 7 7 174 97 5.151030897041
132 3 0 1 175 98 -13.59558752719
133 3 1 0 175 98 -13.59558752719
134 3 0 2 177 99 -11.79670762396
135 3 2 0 177 99 -11.79670762396
136 3 0 3 179 100 3.839916080549
137 3 3 0 179 100 3.839916080549
138 3 0 4 181 101 -0.7925599918271
139 3 4 0 181 101 -0.7925599918271
140 3 0 5 183 102 -1.680382273167
141 3 5 0 183 102 -1.680382273167
142 3 0 6 185 103 -16.50260270967
143 3 6 0 185 103 -16.50260270967
144 3 0 7 187 104 -3.351749153314
145 3 7 0 187 104 -3.351749153314
146 3 1 2 190 106 -4.873266892268
147 3 2 1 190 106 -4.873266892268
148 3 1 3 192 107 38.06753341311
149 3 3 1 192 107 38.06753341311
150 3 1 5 196 109 7.596056676652
151 3 5 1 196 109 7.596056676652
152 3 1 6 198 110 -12.63103117737
153 3 6 1 198 110 -12.63103117737
154 3 1 7 200 111 8.613096088572
155 3 7 1 200 111 8.613096088572
156 3 2 2 202 112 -10.14259569793
157 3 2 3 203 113 13.0109745798
158 3 3 2 203 113 13.0109745798
159 3 2 4 205 114 3.929746033806
160 3 4 2 205 114 3.929746033806
161 3 2 6 209 116 1.113096413181
162 3 6 2 209 116 1.113096413181
163 3 2 7 211 117 -3.597030947711
164 3 7 2 211 117 -3.597030947711
165 3 3 4 214 119 -6.811673645539
166 3 4 3 214 119 -6.811673645539
167 3 3 5 216 120 -8.730782285627
168 3 5 3 216 120 -8.730782285627
169 3 3 6 218 121 18.62362110189
170 3 6 3 218 121 18.62362110189
171 3 3 7 220 122 2.536546206119
172 3 7 3 220 122 2.536546206119
173 3 4 4 222 123 -0.6569249501019
174 3 4 5 223 124 -3.397778953884
175 3 5 4 223 124 -3.397778953884
176 3 4 6 225 125 9.87457637327
177 3 6 4 225 125 9.87457637327
178 3 4 7 227 126 -0.8278082729906
179 3 7 4 227 126 -0.8278082729906
180 3 5 5 229 127 -7.598594094121
181 3 5 6 230 128 4.963616260806
182 3 6 5 230 128 4.963616260806
183 3 5 7 232 129 -3.401310068721
184 3 7 5 232 129 -3.401310068721
185 3 6 6 234 130 -0.3379160152532
186 3 6 7 235 131 0.5618880098043
187 3 7 6 235 131 0.5618880098043
188 3 7 7 237 132 -2.816530767378
189 4 0 1 238 133 2.869109173169
190 4 1 0 238 133 2.869109173169
191 4 0 2 240 134 -7.307202503665
192 4 2 0 240 134 -7.307202503665
193 4 0 4 244 136 3.411085689947
194 4 4 0 244 136 3.411085689947
195 4 0 5 246 137 0.1006034141436
196 4 5 0 246 137 0.1006034141436
197 4 0 6 248 138 -2.819861350535
198 4 6 0 248 138 -2.819861350535
199 4 0 7 250 139 -5.521818231529
200 4 7 0 250 139 -5.521818231529
201 4 1 1 252 140 8.007333648422
202 4 1 3 255 142 0.8325193234015
203 4 3 1 255 142 0.8325193234015
204 4 1 4 257 143 -0.1896122329035
205 4 4 1 257 143 -0.1896122329035
206 4 1 5 259 144 4.533850047411
207 4 5 1 259 144 4.533850047411
208 4 1 6 261 145 27.74615933625
209 4 6 1 261 145 27.74615933625
210 4 1 7 263 146 12.42880445413
211 4 7 1 263 146 12.42880445413
212 4 2 2 265 147 -10.31145313015
213 4 2 4 268 149 8.155494398902
214 4 4 2 268 149 8.155494398902
215 4 2 5 270 150 2.215586005145
216 4 5 2 270 150 2.215586005145
217 4 2 6 272 151 3.030395135769
218 4 6 2 272 151 3.030395135769
219 4 2 7 274 152 -6.679100643838
220 4 7 2 274 152 -6.679100643838
221 4 3 3 276 153 -11.61412078324
222 4 3 4 277 154 -3.873974618754
223 4 4 3 277 154 -3.873974618754
224 4 3 5 279 155 -4.275733403183
225 4 5 3 279 155 -4.275733403183
226 4 3 6 281 156 22.76438281959
227 4 6 3 281 156 22.76438281959
228 4 3 7 283 157 7.370280257748
229 4 7 3 283 157 7.370280257748
230 4 4 4 285 158 6.659555185981
231 4 4 5 286 159 -7.026440907237
232 4 5 4 286 159 -7.026440907237
233 4 4 6 288 160 -3.259467267602
234 4 6 4 288 160 -3.259467267602
235 4 4 7 290 161 -9.126641701397
236 4 7 4 290 161 -9.126641701397
237 4 5 5 292 162 -8.137756546875
238 4 5 6 293 163 5.765408275049
239 4 6 5 293 163 5.765408275049
240 4 6 6 297 165 -3.665737983734
241 4 6 7 298 166 0.1428536922059
242 4 7 6 298 166 0.1428536922059
243 4 7 7 300 167 2.834635724674
244 5 0 1 301 168 -3.794252991792
245 5 1 0 301 168 -3.794252991792
246 5 0 2 303 169 -5.440274863004
247 5 2 0 303 169 -5.440274863004
248 5 0 4 307 171 -2.916656348949
249 5 4 0 307 171 -2.916656348949
250 5 0 5 309 172 -6.438561529298
251 5 5 0 309 172 -6.438561529298
252 5 0 6 311 173 -7.315412355923
253 5 6 0 311 173 -7.315412355923
254 5 0 7 313 174 -1.156080000888
255 5 7 0 313 174 -1.156080000888
256 5 1 2 316 176 0.1887927050509
257 5 2 1 316 176 0.1887927050509
258 5 1 5 322 179 0.01558131323659
259 5 5 1 322 179 0.01558131323659
260 5 1 6 324 180 6.759429346961
261 5 6 1 324 180 6.759429346961
262 5 1 7 326 181 6.445565441405
263 5 7 1 326 181 6.445565441405
264 5 2 2 328 182 0.2719067181991
265 5 2 5 333 185 -9.922946648166
266 5 5 2 333 185 -9.922946648166
267 5 2 6 335 186 3.628062630296
268 5 6 2 335 186 3.628062630296
269 5 2 7 337 187 -2.235366439535
270 5 7 2 337 187 -2.235366439535
271 5 3 3 339 188 -24.69869829241
272 5 3 4 340 189 -1.841144734863
273 5 4 3 340 189 -1.841144734863
274 5 3 5 342 190 -7.24057881235
275 5 5 3 342 190 -7.24057881235
276 5 3 6 344 191 18.95196666797
277 5 6 3 344 191 18.95196666797
278 5 4 4 348 193 0.623480003213
279 5 4 6 351 195 7.99169507635
280 5 6 4 351 195 7.99169507635
281 5 4 7 353 196 1.48933420006
282 5 7 4 353 196 1.48933420006
283 5 5 5 355 197 -2.202066992472
284 5 5 6 356 198 4.684260373178
285 5 6 5 356 198 4.684260373178
286 5 5 7 358 199 -3.395266999647
287 5 7 5 358 199 -3.395266999647
288 5 7 7 363 202 -4.079923636227
289 6 0 1 364 203 -8.964103958752
290 6 1 0 364 203 -8.964103958752
291 6 0 2 366 204 -3.683648351452
292 6 2 0 366 204 -3.683648351452
293 6 0 3 368 205 -14.83539788466
294 6 3 0 368 205 -14.83539788466
295 6 0 4 370 206 -10.53722355515
296 6 4 0 370 206 -10.53722355515
297 6 0 5 372 207 -12.85801862782
298 6 5 0 372 207 -12.85801862782
299 6 0 6 374 208 -4.140716036216
300 6 6 0 374 208 -4.140716036216
301 6 0 7 376 209 -2.689957959761
302 6 7 0 376 209 -2.689957959761
303 6 1 1 378 210 -65.29116416601
304 6 1 2 379 211 5.335489640695
305 6 2 1 379 211 5.335489640695
306 6 1 3 381 212 -24.92796931305
307 6 3 1 381 212 -24.92796931305
308 6 1 4 383 213 11.40942734431
309 6 4 1 383 213 11.40942734431
310 6 1 5 385 214 -11.10354536038
311 6 5 1 385 214 -11.10354536038
312 6 1 6 387 215 9.202219683122
313 6 6 1 387 215 9.202219683122
314 6 1 7 389 216 -0.4851033743609
315 6 7 1 389 216 -0.4851033743609
316 6 2 4 394 219 -8.517958245442
317 6 4 2 394 219 -8.517958245442
318 6 2 5 396 220 -5.772873837865
319 6 5 2 396 220 -5.772873837865
320 6 2 7 400 222 1.383187626977
321 6 7 2 400 222 1.383187626977
322 6 3 3 402 223 5.577065825417
323 6 3 4 403 224 11.86032494333
324 6 4 3 403 224 11.86032494333
325 6 3 5 405 225 6.012215975912
326 6 5 3 405 225 6.012215975912
327 6 3 6 407 226 10.09309201855
328 6 6 3 407 226 10.09309201855
329 6 3 7 409 227 3.658236598601
330 6 7 3 409 227 3.658236598601
331 6 4 4 411 228 -4.679984694924
332 6 4 5 412 229 3.592393052921
333 6 5 4 412 229 3.592393052921
334 6 4 6 414 230 -0.4552905413237
335 6 6 4 414 230 -0.4552905413237
336 6 4 7 416 231 0.8534905863572
337 6 7 4 416 231 0.8534905863572
338 6 5 5 418 232 1.302581797707
339 6 5 6 419 233 1.358711801711
340 6 6 5 419 233 1.358711801711
341 6 5 7 421 234 -0.9097446672802
342 6 7 5 421 234 -0.9097446672802
343 6 6 6 423 235 -1.115311711355
344 6 6 7 424 236 -0.8676589716302
345 6 7 6 424 236 -0.8676589716302
346 6 7 7 426 237 -0.4417279847918
347 7 0 1 427 238 2.542775087541
348 7 1 0 427 238 2.542775087541
349 7 0 2 429 239 -1.571532087499
350 7 2 0 429 239 -1.571532087499
351 7 0 3 431 240 -0.005633388202064
352 7 3 0 431 240 -0.005633388202064
353 7 0 4 433 241 -9.042079589562
354 7 4 0 433 241 -9.042079589562
355 7 0 5 435 242 -4.992625864926
356 7 5 0 435 242 -4.992625864926
357 7 0 6 437 243 -3.868419543464
358 7 6 0 437 243 -3.868419543464
359 7 0 7 439 244 1.678367793026
360 7 7 0 439 244 1.678367793026
361 7 1 1 441 245 -1.277086636523
362 7 1 2 442 246 22.57170724216
363 7 2 1 442 246 22.57170724216
364 7 1 3 444 247 11.80472240487
365 7 3 1 444 247 11.80472240487
366 7 1 4 446 248 2.130021272173
367 7 4 1 446 248 2.130021272173
368 7 1 5 448 249 -5.521633531111
369 7 5 1 448 249 -5.521633531111
370 7 1 6 450 250 -4.806506273313
371 7 6 1 450 250 -4.806506273313
372 7 2 2 454 252 0.8097691857319
373 7 2 3 455 253 14.31034178082
374 7 3 2 455 253 14.31034178082
375 7 2 4 457 254 -9.203245650932
376 7 4 2 457 254 -9.203245650932
377 7 2 6 461 256 -0.5089555909593
378 7 6 2 461 256 -0.5089555909593
379 7 2 7 463 257 3.858307371997
380 7 7 2 463 257 3.858307371997
381 7 3 3 465 258 12.32257520229
382 7 3 4 466 259 6.36056025473
383 7 4 3 466 259 6.36056025473
384 7 3 6 470 261 2.589968233472
385 7 6 3 470 261 2.589968233472
386 7 3 7 472 262 -1.445816770152
387 7 7 3 472 262 -1.445816770152
388 7 4 4 474 263 -2.303288545256
389 7 4 5 475 264 3.375651399766
390 7 5 4 475 264 3.375651399766
391 7 4 6 477 265 2.04487358038
392 7 6 4 477 265 2.04487358038
393 7 4 7 479 266 2.160699132862
394 7 7 4 479 266 2.160699132862
395 7 5 5 481 267 -4.897024635044
396 7 5 6 482 268 -2.079695607066
397 7 6 5 482 268 -2.079695607066
398 7 5 7 484 269 -4.793260212266
399 7 7 5 484 269 -4.793260212266
400 7 6 6 486 270 -2.167863910996
401 7 6 7 487 271 -1.555281088061
402 7 7 6 487 271 -1.555281088061
403 7 7 7 489 272 -3.357954061863

TRIPLETTYPE PARAMS:
   INDEX: 8 ATOMS: N O O
PAIRS: NO NO OO UNIQUE: -1 TOTAL: 403
     index  |  powers  |  equiv index  |  param index  |       parameter       
   ----------------------------------------------------------------------------
0 0 1 1 0 0 9.293815358876
1 1 0 1 0 0 9.293815358876
2 0 1 2 2 1 3.261083827488
3 1 0 2 2 1 3.261083827488
4 0 1 3 4 2 -11.37290289598
5 1 0 3 4 2 -11.37290289598
6 0 1 4 6 3 -1.218970490773
7 1 0 4 6 3 -1.218970490773
8 0 1 5 8 4 4.420813626444
9 1 0 5 8 4 4.420813626444
10 0 1 6 10 5 9.025096053464
11 1 0 6 10 5 9.025096053464
12 0 1 7 12 6 1.634899469597
13 1 0 7 12 6 1.634899469597
14 0 2 2 16 8 -0.4998060589425
15 2 0 2 16 8 -0.4998060589425
16 0 2 3 18 9 -10.59804380011
17 2 0 3 18 9 -10.59804380011
18 0 2 4 20 10 2.172846997626
19 2 0 4 20 10 2.172846997626
20 0 2 5 22 11 2.950780668572
21 2 0 5 22 11 2.950780668572
22 0 2 6 24 12 7.955485657793
23 2 0 6 24 12 7.955485657793
24 0 2 7 26 13 3.774406320305
25 2 0 7 26 13 3.774406320305
26 0 3 2 30 15 -0.2533354599585
27 3 0 2 30 15 -0.2533354599585
28 0 3 3 32 16 -17.42936913762
29 3 0 3 32 16 -17.42936913762
30 0 3 4 34 17 -5.465958946612
31 3 0 4 34 17 -5.465958946612
32 0 3 5 36 18 -2.219560175006
33 3 0 5 36 18 -2.219560175006
34 0 3 6 38 19 6.933633818305
35 3 0 6 38 19 6.933633818305
36 0 3 7 40 20 0.2503061829628
37 3 0 7 40 20 0.2503061829628
38 0 4 1 42 21 7.874138919359
39 4 0 1 42 21 7.874138919359
40 0 4 2 44 22 -0.2061331338052
41 4 0 2 44 22 -0.2061331338052
42 0 4 3 46 23 -14.98770122235
43 4 0 3 46 23 -14.98770122235
44 0 4 4 48 24 -9.387541469762
45 4 0 4 48 24 -9.387541469762
46 0 4 5 50 25 -9.372822173907
47 4 0 5 50 25 -9.372822173907
48 0 4 7 54 27 1.251455859482
49 4 0 7 54 27 1.251455859482
50 0 5 1 56 28 2.153094748911
51 5 0 1 56 28 2.153094748911
52 0 5 2 58 29 6.060373080067
53 5 0 2 58 29 6.060373080067
54 0 5 3 60 30 -4.455515195499
55 5 0 3 60 30 -4.455515195499
56 0 5 4 62 31 0.2079982963809
57 5 0 4 62 31 0.2079982963809
58 0 5 5 64 32 -3.355708961715
59 5 0 5 64 32 -3.355708961715
60 0 5 6 66 33 -0.1572476835008
61 5 0 6 66 33 -0.1572476835008
62 0 5 7 68 34 -0.7464893486323
63 5 0 7 68 34 -0.7464893486323
64 0 6 1 70 35 -22.13071801821
65 6 0 1 70 35 -22.13071801821
66 0 6 2 72 36 2.600582694352
67 6 0 2 72 36 2.600582694352
68 0 6 3 74 37 -13.55958621894
69 6 0 3 74 37 -13.55958621894
70 0 6 5 78 39 -2.071561429338
71 6 0 5 78 39 -2.071561429338
72 0 6 6 80 40 0.2310332386206
73 6 0 6 80 40 0.2310332386206
74 0 6 7 82 41 0.6503772881228
75 6 0 7 82 41 0.6503772881228
76 0 7 1 84 42 -0.4282136130201
77 7 0 1 84 42 -0.4282136130201
78 0 7 2 86 43 1.304523164806
79 7 0 2 86 43 1.304523164806
80 0 7 3 88 44 8.45728096228
81 7 0 3 88 44 8.45728096228
82 0 7 4 90 45 -3.762552891893
83 7 0 4 90 45 -3.762552891893
84 0 7 5 92 46 3.404076753682
85 7 0 5 92 46 3.404076753682
86 0 7 6 94 47 -3.803181826656
87 7 0 6 94 47 -3.803181826656
88 0 7 7 96 48 0.3541817782819
89 7 0 7 96 48 0.3541817782819
90 1 1 0 98 49 16.78211394021
91 1 1 3 101 52 -10.46992141445
92 1 1 4 102 53 -19.91769004395
93 1 1 5 103 54 43.32920152975
94 1 1 6 104 55 48.49254195505
95 1 2 0 106 57 -35.27893872866
96 2 1 0 106 57 -35.27893872866
97 1 2 2 110 59 -4.603376362331
98 2 1 2 110 59 -4.603376362331
99 1 2 4 114 61 6.902400421579
100 2 1 4 114 61 6.902400421579
101 1 3 0 122 65 -17.02115305883
102 3 1 0 122 65 -17.02115305883
103 1 3 1 124 66 6.501854494828
104 3 1 1 124 66 6.501854494828
105 1 3 5 132 70 9.320880323227
106 3 1 5 132 70 9.320880323227
107 1 3 6 134 71 16.62701837471
108 3 1 6 134 71 16.62701837471
109 1 3 7 136 72 -10.12441528581
110 3 1 7 136 72 -10.12441528581
111 1 4 0 138 73 -15.88278659414
112 4 1 0 138 73 -15.88278659414
113 1 4 1 140 74 8.500163403384
114 4 1 1 140 74 8.500163403384
115 1 4 3 144 76 -7.12637261851
116 4 1 3 144 76 -7.12637261851
117 1 4 5 148 78 -15.33612131448
118 4 1 5 148 78 -15.33612131448
119 1 4 6 150 79 -6.468886899799
120 4 1 6 150 79 -6.468886899799
121 1 4 7 152 80 1.794922668587
122 4 1 7 152 80 1.794922668587
123 1 5 0 154 81 4.001608888567
124 5 1 0 154 81 4.001608888567
125 1 5 1 156 82 11.73469857063
126 5 1 1 156 82 11.73469857063
127 1 5 2 158 83 8.990086488485
128 5 1 2 158 83 8.990086488485
129 1 5 3 160 84 -4.039093519643
130 5 1 3 160 84 -4.039093519643
131 1 5 5 164 86 8.171747419095
132 5 1 5 164 86 8.171747419095
133 1 5 6 166 87 9.34946969792
134 5 1 6 166 87 9.34946969792
135 1 5 7 168 88 -2.584059153756
136 5 1 7 168 88 -2.584059153756
137 1 6 0 170 89 -2.379858642745
138 6 1 0 170 89 -2.379858642745
139 1 6 1 172 90 -61.05833410193
140 6 1 1 172 90 -61.05833410193
141 1 6 3 176 92 -31.21658770401
142 6 1 3 176 92 -31.21658770401
143 1 6 4 178 93 1.09757417837
144 6 1 4 178 93 1.09757417837
145 1 6 6 182 95 1.439444850844
146 6 1 6 182 95 1.439444850844
147 1 6 7 184 96 6.780850131813
148 6 1 7 184 96 6.780850131813
149 1 7 1 188 98 -10.47155953412
150 7 1 1 188 98 -10.47155953412
151 1 7 2 190 99 -5.496379993067
152 7 1 2 190 99 -5.496379993067
153 1 7 4 194 101 -7.851054441624
154 7 1 4 194 101 -7.851054441624
155 1 7 5 196 102 5.947648021082
156 7 1 5 196 102 5.947648021082
157 1 7 6 198 103 -2.697653110192
158 7 1 6 198 103 -2.697653110192
159 1 7 7 200 104 -3.519872225339
160 7 1 7 200 104 -3.519872225339
161 2 2 0 202 105 5.018648139609
162 2 2 3 205 108 -10.88208315036
163 2 2 5 207 110 22.82486456177
164 2 2 6 208 111 19.56745134568
165 2 2 7 209 112 15.29720294312
166 2 3 0 210 113 -12.28425812244
167 3 2 0 210 113 -12.28425812244
168 2 3 1 212 114 -10.53312103457
169 3 2 1 212 114 -10.53312103457
170 2 3 2 214 115 5.442216424436
171 3 2 2 214 115 5.442216424436
172 2 3 6 222 119 -0.6721199230375
173 3 2 6 222 119 -0.6721199230375
174 2 3 7 224 120 0.4970414171261
175 3 2 7 224 120 0.4970414171261
176 2 4 0 226 121 -2.679409000802
177 4 2 0 226 121 -2.679409000802
178 2 4 1 228 122 31.78462030411
179 4 2 1 228 122 31.78462030411
180 2 4 4 234 125 -10.25960800955
181 4 2 4 234 125 -10.25960800955
182 2 4 5 236 126 6.442058381169
183 4 2 5 236 126 6.442058381169
184 2 4 6 238 127 3.573406183283
185 4 2 6 238 127 3.573406183283
186 2 4 7 240 128 8.079032349964
187 4 2 7 240 128 8.079032349964
188 2 5 0 242 129 -0.716561713947
189 5 2 0 242 129 -0.716561713947
190 2 5 2 246 131 27.19929814924
191 5 2 2 246 131 27.19929814924
192 2 5 3 248 132 6.054238481076
193 5 2 3 248 132 6.054238481076
194 2 5 4 250 133 12.31523688875
195 5 2 4 250 133 12.31523688875
196 2 5 5 252 134 -8.853164076191
197 5 2 5 252 134 -8.853164076191
198 2 5 6 254 135 -5.653312235162
199 5 2 6 254 135 -5.653312235162
200 2 5 7 256 136 -5.137295313258
201 5 2 7 256 136 -5.137295313258
202 2 6 0 258 137 -6.81755901044
203 6 2 0 258 137 -6.81755901044
204 2 6 1 260 138 -12.48299952086
205 6 2 1 260 138 -12.48299952086
206 2 6 2 262 139 -0.7483502097378
207 6 2 2 262 139 -0.7483502097378
208 2 6 4 266 141 0.230838904821
209 6 2 4 266 141 0.230838904821
210 2 6 5 268 142 4.786862041848
211 6 2 5 268 142 4.786862041848
212 2 6 6 270 143 -0.3020829631097
213 6 2 6 270 143 -0.3020829631097
214 2 6 7 272 144 0.2591535160045
215 6 2 7 272 144 0.2591535160045
216 2 7 0 274 145 -0.5055758756912
217 7 2 0 274 145 -0.5055758756912
218 2 7 1 276 146 5.052975512337
219 7 2 1 276 146 5.052975512337
220 2 7 2 278 147 6.410291252126
221 7 2 2 278 147 6.410291252126
222 2 7 3 280 148 14.7312236691
223 7 2 3 280 148 14.7312236691
224 2 7 4 282 149 -2.916178204885
225 7 2 4 282 149 -2.916178204885
226 2 7 5 284 150 -1.159063651861
227 7 2 5 284 150 -1.159063651861
228 2 7 6 286 151 -7.653613013197
229 7 2 6 286 151 -7.653613013197
230 2 7 7 288 152 -3.199348020617
231 7 2 7 288 152 -3.199348020617
232 3 3 0 290 153 -26.50620273337
233 3 3 1 291 154 -5.543237858491
234 3 3 2 292 155 3.301855355989
235 3 3 3 293 156 7.979754924477
236 3 3 4 294 157 8.343878260942
237 3 3 6 296 159 -0.1750360160304
238 3 3 7 297 160 -7.856312610726
239 3 4 0 298 161 -10.27945981435
240 4 3 0 298 161 -10.27945981435
241 3 4 3 304 164 -0.1351699358561
242 4 3 3 304 164 -0.1351699358561
243 3 4 4 306 165 -0.1230553247518
244 4 3 4 306 165 -0.1230553247518
245 3 4 6 310 167 -3.477166677704
246 4 3 6 310 167 -3.477166677704
247 3 4 7 312 168 5.030088276518
248 4 3 7 312 168 5.030088276518
249 3 5 0 314 169 -0.07358756067032
250 5 3 0 314 169 -0.07358756067032
251 3 5 2 318 171 10.63595013744
252 5 3 2 318 171 10.63595013744
253 3 5 3 320 172 -4.660754607585
254 5 3 3 320 172 -4.660754607585
255 3 5 5 324 174 1.212886639082
256 5 3 5 324 174 1.212886639082
257 3 5 6 326 175 -0.2902472445536
258 5 3 6 326 175 -0.2902472445536
259 3 5 7 328 176 -2.285777264509
260 5 3 7 328 176 -2.285777264509
261 3 6 0 330 177 -4.772273760654
262 6 3 0 330 177 -4.772273760654
263 3 6 1 332 178 -12.0148279404
264 6 3 1 332 178 -12.0148279404
265 3 6 2 334 179 -5.062455524892
266 6 3 2 334 179 -5.062455524892
267 3 6 4 338 181 -2.986364542788
268 6 3 4 338 181 -2.986364542788
269 3 6 5 340 182 7.37321066255
270 6 3 5 340 182 7.37321066255
271 3 6 6 342 183 -0.8058477441187
272 6 3 6 342 183 -0.8058477441187
273 3 6 7 344 184 4.27197080337
274 6 3 7 344 184 4.27197080337
275 3 7 0 346 185 -3.054681645747
276 7 3 0 346 185 -3.054681645747
277 3 7 1 348 186 10.45616000345
278 7 3 1 348 186 10.45616000345
279 3 7 2 350 187 -4.941184328306
280 7 3 2 350 187 -4.941184328306
281 3 7 3 352 188 4.358768394124
282 7 3 3 352 188 4.358768394124
283 3 7 4 354 189 -6.504681342184
284 7 3 4 354 189 -6.504681342184
285 3 7 5 356 190 -0.7275069011783
286 7 3 5 356 190 -0.7275069011783
287 3 7 6 358 191 -4.159669126302
288 7 3 6 358 191 -4.159669126302
289 3 7 7 360 192 -4.971499801084
290 7 3 7 360 192 -4.971499801084
291 4 4 0 362 193 1.632952886041
292 4 4 2 364 195 13.29141486723
293 4 4 3 365 196 -6.659635950851
294 4 4 5 367 198 4.245039252169
295 4 4 7 369 200 4.127382905603
296 4 5 0 370 201 -2.814726974212
297 5 4 0 370 201 -2.814726974212
298 4 5 1 372 202 -0.6326322525698
299 5 4 1 372 202 -0.6326322525698
300 4 5 2 374 203 5.939381753623
301 5 4 2 374 203 5.939381753623
302 4 5 4 378 205 -1.001889859251
303 5 4 4 378 205 -1.001889859251
304 4 5 5 380 206 -4.585020620758
305 5 4 5 380 206 -4.585020620758
306 4 5 6 382 207 -6.13675407499
307 5 4 6 382 207 -6.13675407499
308 4 5 7 384 208 -0.1419194776911
309 5 4 7 384 208 -0.1419194776911
310 4 6 0 386 209 -4.952483122049
311 6 4 0 386 209 -4.952483122049
312 4 6 1 388 210 12.00514040899
313 6 4 1 388 210 12.00514040899
314 4 6 3 392 212 12.04667080035
315 6 4 3 392 212 12.04667080035
316 4 6 4 394 213 -0.4380075077578
317 6 4 4 394 213 -0.4380075077578
318 4 6 5 396 214 6.416303660511
319 6 4 5 396 214 6.416303660511
320 4 6 6 398 215 -1.650018449162
321 6 4 6 398 215 -1.650018449162
322 4 6 7 400 216 -0.5262861147354
323 6 4 7 400 216 -0.5262861147354
324 4 7 0 402 217 -1.060960623812
325 7 4 0 402 217 -1.060960623812
326 4 7 1 404 218 17.01226853302
327 7 4 1 404 218 17.01226853302
328 4 7 3 408 220 11.3340571044
329 7 4 3 408 220 11.3340571044
330 4 7 4 410 221 -4.693356727251
331 7 4 4 410 221 -4.693356727251
332 4 7 5 412 222 -1.084380834097
333 7 4 5 412 222 -1.084380834097
334 4 7 6 414 223 -4.550022119529
335 7 4 6 414 223 -4.550022119529
336 4 7 7 416 224 -1.364477599664
337 7 4 7 416 224 -1.364477599664
338 5 5 0 418 225 3.073676331898
339 5 5 1 419 226 -1.879706467624
340 5 5 2 420 227 -3.25846911467
341 5 5 3 421 228 -12.35022778121
342 5 5 4 422 229 -10.5362351661
343 5 5 5 423 230 1.368870587405
344 5 5 6 424 231 -0.5469757819424
345 5 6 0 426 233 1.439440982691
346 6 5 0 426 233 1.439440982691
347 5 6 2 430 235 2.763557129962
348 6 5 2 430 235 2.763557129962
349 5 6 4 434 237 0.4551212500224
350 6 5 4 434 237 0.4551212500224
351 5 6 5 436 238 0.5833382583601
352 6 5 5 436 238 0.5833382583601
353 5 6 6 438 239 -0.6708879733139
354 6 5 6 438 239 -0.6708879733139
355 5 7 0 442 241 1.455596767288
356 7 5 0 442 241 1.455596767288
357 5 7 1 444 242 9.915913602103
358 7 5 1 444 242 9.915913602103
359 5 7 2 446 243 -2.081079598382
360 7 5 2 446 243 -2.081079598382
361 5 7 3 448 244 1.662428095597
362 7 5 3 448 244 1.662428095597
363 5 7 4 450 245 -4.84732930264
364 7 5 4 450 245 -4.84732930264
365 5 7 5 452 246 1.02247653765
366 7 5 5 452 246 1.02247653765
367 5 7 6 454 247 -1.893338983782
368 7 5 6 454 247 -1.893338983782
369 5 7 7 456 248 -2.00883787877
370 7 5 7 456 248 -2.00883787877
371 6 6 0 458 249 -2.831529555944
372 6 6 1 459 250 6.053318919175
373 6 6 2 460 251 -0.4033198861828
374 6 6 3 461 252 6.496484289345
375 6 6 4 462 253 0.8777391148414
376 6 6 5 463 254 2.04986586106
377 6 6 6 464 255 -0.4095994211825
378 6 6 7 465 256 -1.92982547944
379 6 7 0 466 257 4.804544524658
380 7 6 0 466 257 4.804544524658
381 6 7 1 468 258 -0.9137615113069
382 7 6 1 468 258 -0.9137615113069
383 6 7 2 470 259 7.320750380578
384 7 6 2 470 259 7.320750380578
385 6 7 3 472 260 -0.9161611644641
386 7 6 3 472 260 -0.9161611644641
387 6 7 4 474 261 2.601935852725
388 7 6 4 474 261 2.601935852725
389 6 7 5 476 262 -1.935018909693
390 7 6 5 476 262 -1.935018909693
391 6 7 6 478 263 -0.04049132539225
392 7 6 6 478 263 -0.04049132539225
393 6 7 7 480 264 -1.32109570906
394 7 6 7 480 264 -1.32109570906
395 7 7 0 482 265 0.6287537946491
396 7 7 1 483 266 2.615677110296
397 7 7 2 484 267 -0.4427067262673
398 7 7 3 485 268 1.192197808245
399 7 7 4 486 269 -1.749851547381
400 7 7 5 487 270 0.4527545378212
401 7 7 6 488 271 -1.563151737922
402 7 7 7 489 272 -1.35624407782

TRIPLETTYPE PARAMS:
   INDEX: 9 ATOMS: O O O
PAIRS: OO OO OO UNIQUE: -1 TOTAL: 372
     index  |  powers  |  equiv index  |  param index  |       parameter       
   ----------------------------------------------------------------------------
0 0 1 2 3 1 -2.548048650461
1 1 0 2 3 1 -2.548048650461
2 0 2 1 3 1 -2.548048650461
3 2 0 1 3 1 -2.548048650461
4 1 2 0 3 1 -2.548048650461
5 2 1 0 3 1 -2.548048650461
6 0 1 3 9 2 -0.7516937625463
7 1 0 3 9 2 -0.7516937625463
8 0 3 1 9 2 -0.7516937625463
9 3 0 1 9 2 -0.7516937625463
10 1 3 0 9 2 -0.7516937625463
11 3 1 0 9 2 -0.7516937625463
12 0 1 4 15 3 13.78320404625
13 1 0 4 15 3 13.78320404625
14 0 4 1 15 3 13.78320404625
15 4 0 1 15 3 13.78320404625
16 1 4 0 15 3 13.78320404625
17 4 1 0 15 3 13.78320404625
18 0 1 5 21 4 4.168394957789
19 1 0 5 21 4 4.168394957789
20 0 5 1 21 4 4.168394957789
21 5 0 1 21 4 4.168394957789
22 1 5 0 21 4 4.168394957789
23 5 1 0 21 4 4.168394957789
24 0 1 6 27 5 12.06458416216
25 1 0 6 27 5 12.06458416216
26 0 6 1 27 5 12.06458416216
27 6 0 1 27 5 12.06458416216
28 1 6 0 27 5 12.06458416216
29 6 1 0 27 5 12.06458416216
30 0 1 7 33 6 -2.003079710826
31 1 0 7 33 6 -2.003079710826
32 0 7 1 33 6 -2.003079710826
33 7 0 1 33 6 -2.003079710826
34 1 7 0 33 6 -2.003079710826
35 7 1 0 33 6 -2.003079710826
36 0 2 2 39 7 -9.876442887278
37 2 0 2 39 7 -9.876442887278
38 2 2 0 39 7 -9.876442887278
39 0 2 3 42 8 -0.6042241891231
40 2 0 3 42 8 -0.6042241891231
41 0 3 2 42 8 -0.6042241891231
42 3 0 2 42 8 -0.6042241891231
43 2 3 0 42 8 -0.6042241891231
44 3 2 0 42 8 -0.6042241891231
45 0 2 4 48 9 -0.7078576510946
46 2 0 4 48 9 -0.7078576510946
47 0 4 2 48 9 -0.7078576510946
48 4 0 2 48 9 -0.7078576510946
49 2 4 0 48 9 -0.7078576510946
50 4 2 0 48 9 -0.7078576510946
51 0 2 5 54 10 5.472327849359
52 2 0 5 54 10 5.472327849359
53 0 5 2 54 10 5.472327849359
54 5 0 2 54 10 5.472327849359
55 2 5 0 54 10 5.472327849359
56 5 2 0 54 10 5.472327849359
57 0 2 6 60 11 6.602595043143
58 2 0 6 60 11 6.602595043143
59 0 6 2 60 11 6.602595043143
60 6 0 2 60 11 6.602595043143
61 2 6 0 60 11 6.602595043143
62 6 2 0 60 11 6.602595043143
63 0 2 7 66 12 0.5511568234462
64 2 0 7 66 12 0.5511568234462
65 0 7 2 66 12 0.5511568234462
66 7 0 2 66 12 0.5511568234462
67 2 7 0 66 12 0.5511568234462
68 7 2 0 66 12 0.5511568234462
69 0 3 4 75 14 8.45357568234
70 3 0 4 75 14 8.45357568234
71 0 4 3 75 14 8.45357568234
72 4 0 3 75 14 8.45357568234
73 3 4 0 75 14 8.45357568234
74 4 3 0 75 14 8.45357568234
75 0 3 5 81 15 3.964333413602
76 3 0 5 81 15 3.964333413602
77 0 5 3 81 15 3.964333413602
78 5 0 3 81 15 3.964333413602
79 3 5 0 81 15 3.964333413602
80 5 3 0 81 15 3.964333413602
81 0 3 6 87 16 6.785343176471
82 3 0 6 87 16 6.785343176471
83 0 6 3 87 16 6.785343176471
84 6 0 3 87 16 6.785343176471
85 3 6 0 87 16 6.785343176471
86 6 3 0 87 16 6.785343176471
87 0 3 7 93 17 0.130463023232
88 3 0 7 93 17 0.130463023232
89 0 7 3 93 17 0.130463023232
90 7 0 3 93 17 0.130463023232
91 3 7 0 93 17 0.130463023232
92 7 3 0 93 17 0.130463023232
93 0 4 4 99 18 -7.222728517181
94 4 0 4 99 18 -7.222728517181
95 4 4 0 99 18 -7.222728517181
96 0 4 5 102 19 7.104423663777
97 4 0 5 102 19 7.104423663777
98 0 5 4 102 19 7.104423663777
99 5 0 4 102 19 7.104423663777
100 4 5 0 102 19 7.104423663777
101 5 4 0 102 19 7.104423663777
102 0 4 6 108 20 -0.3733214628157
103 4 0 6 108 20 -0.3733214628157
104 0 6 4 108 20 -0.3733214628157
105 6 0 4 108 20 -0.3733214628157
106 4 6 0 108 20 -0.3733214628157
107 6 4 0 108 20 -0.3733214628157
108 0 4 7 114 21 3.940217341214
109 4 0 7 114 21 3.940217341214
110 0 7 4 114 21 3.940217341214
111 7 0 4 114 21 3.940217341214
112 4 7 0 114 21 3.940217341214
113 7 4 0 114 21 3.940217341214
114 0 5 5 120 22 1.611045417055
115 5 0 5 120 22 1.611045417055
116 5 5 0 120 22 1.611045417055
117 0 5 7 129 24 0.9639805698886
118 5 0 7 129 24 0.9639805698886
119 0 7 5 129 24 0.9639805698886
120 7 0 5 129 24 0.9639805698886
121 5 7 0 129 24 0.9639805698886
122 7 5 0 129 24 0.9639805698886
123 0 6 6 135 25 -2.302209401951
124 6 0 6 135 25 -2.302209401951
125 6 6 0 135 25 -2.302209401951
126 0 6 7 138 26 -0.185812022012
127 6 0 7 138 26 -0.185812022012
128 0 7 6 138 26 -0.185812022012
129 7 0 6 138 26 -0.185812022012
130 6 7 0 138 26 -0.185812022012
131 7 6 0 138 26 -0.185812022012
132 1 1 2 148 29 -5.204705904654
133 1 2 1 148 29 -5.204705904654
134 2 1 1 148 29 -5.204705904654
135 1 1 6 160 33 3.084158947281
136 1 6 1 160 33 3.084158947281
137 6 1 1 160 33 3.084158947281
138 1 2 3 169 36 0.7582757753016
139 2 1 3 169 36 0.7582757753016
140 1 3 2 169 36 0.7582757753016
141 3 1 2 169 36 0.7582757753016
142 2 3 1 169 36 0.7582757753016
143 3 2 1 169 36 0.7582757753016
144 1 2 7 193 40 1.611216330972
145 2 1 7 193 40 1.611216330972
146 1 7 2 193 40 1.611216330972
147 7 1 2 193 40 1.611216330972
148 2 7 1 193 40 1.611216330972
149 7 2 1 193 40 1.611216330972
150 1 3 5 208 43 -0.7975678383847
151 3 1 5 208 43 -0.7975678383847
152 1 5 3 208 43 -0.7975678383847
153 5 1 3 208 43 -0.7975678383847
154 3 5 1 208 43 -0.7975678383847
155 5 3 1 208 43 -0.7975678383847
156 1 3 6 214 44 -7.583362691328
157 3 1 6 214 44 -7.583362691328
158 1 6 3 214 44 -7.583362691328
159 6 1 3 214 44 -7.583362691328
160 3 6 1 214 44 -7.583362691328
161 6 3 1 214 44 -7.583362691328
162 1 4 5 229 47 1.598375185216
163 4 1 5 229 47 1.598375185216
164 1 5 4 229 47 1.598375185216
165 5 1 4 229 47 1.598375185216
166 4 5 1 229 47 1.598375185216
167 5 4 1 229 47 1.598375185216
168 1 4 6 235 48 1.368593510025
169 4 1 6 235 48 1.368593510025
170 1 6 4 235 48 1.368593510025
171 6 1 4 235 48 1.368593510025
172 4 6 1 235 48 1.368593510025
173 6 4 1 235 48 1.368593510025
174 1 5 6 250 51 -1.050897032196
175 5 1 6 250 51 -1.050897032196
176 1 6 5 250 51 -1.050897032196
177 6 1 5 250 51 -1.050897032196
178 5 6 1 250 51 -1.050897032196
179 6 5 1 250 51 -1.050897032196
180 1 5 7 256 52 -0.2692512336753
181 5 1 7 256 52 -0.2692512336753
182 1 7 5 256 52 -0.2692512336753
183 7 1 5 256 52 -0.2692512336753
184 5 7 1 256 52 -0.2692512336753
185 7 5 1 256 52 -0.2692512336753
186 1 6 6 262 53 3.638872583482
187 6 1 6 262 53 3.638872583482
188 6 6 1 262 53 3.638872583482
189 1 6 7 265 54 -0.1564158911116
190 6 1 7 265 54 -0.1564158911116
191 1 7 6 265 54 -0.1564158911116
192 7 1 6 265 54 -0.1564158911116
193 6 7 1 265 54 -0.1564158911116
194 7 6 1 265 54 -0.1564158911116
195 1 7 7 271 55 1.040477926601
196 7 1 7 271 55 1.040477926601
197 7 7 1 271 55 1.040477926601
198 2 2 2 274 56 -39.51246467949
199 2 2 4 278 58 -2.701363187911
200 2 4 2 278 58 -2.701363187911
201 4 2 2 278 58 -2.701363187911
202 2 2 5 281 59 11.38177801715
203 2 5 2 281 59 11.38177801715
204 5 2 2 281 59 11.38177801715
205 2 2 6 284 60 19.25550745223
206 2 6 2 284 60 19.25550745223
207 6 2 2 284 60 19.25550745223
208 2 2 7 287 61 -3.25591585686
209 2 7 2 287 61 -3.25591585686
210 7 2 2 287 61 -3.25591585686
211 2 3 4 293 63 -0.565815521127
212 3 2 4 293 63 -0.565815521127
213 2 4 3 293 63 -0.565815521127
214 4 2 3 293 63 -0.565815521127
215 3 4 2 293 63 -0.565815521127
216 4 3 2 293 63 -0.565815521127
217 2 3 5 299 64 -2.895966444902
218 3 2 5 299 64 -2.895966444902
219 2 5 3 299 64 -2.895966444902
220 5 2 3 299 64 -2.895966444902
221 3 5 2 299 64 -2.895966444902
222 5 3 2 299 64 -2.895966444902
223 2 3 6 305 65 -1.36036905982
224 3 2 6 305 65 -1.36036905982
225 2 6 3 305 65 -1.36036905982
226 6 2 3 305 65 -1.36036905982
227 3 6 2 305 65 -1.36036905982
228 6 3 2 305 65 -1.36036905982
229 2 3 7 311 66 -0.1301562222262
230 3 2 7 311 66 -0.1301562222262
231 2 7 3 311 66 -0.1301562222262
232 7 2 3 311 66 -0.1301562222262
233 3 7 2 311 66 -0.1301562222262
234 7 3 2 311 66 -0.1301562222262
235 2 4 5 320 68 3.931886001777
236 4 2 5 320 68 3.931886001777
237 2 5 4 320 68 3.931886001777
238 5 2 4 320 68 3.931886001777
239 4 5 2 320 68 3.931886001777
240 5 4 2 320 68 3.931886001777
241 2 4 6 326 69 6.978222581445
242 4 2 6 326 69 6.978222581445
243 2 6 4 326 69 6.978222581445
244 6 2 4 326 69 6.978222581445
245 4 6 2 326 69 6.978222581445
246 6 4 2 326 69 6.978222581445
247 2 5 5 338 71 -2.025528278095
248 5 2 5 338 71 -2.025528278095
249 5 5 2 338 71 -2.025528278095
250 2 5 6 341 72 -3.201047618461
251 5 2 6 341 72 -3.201047618461
252 2 6 5 341 72 -3.201047618461
253 6 2 5 341 72 -3.201047618461
254 5 6 2 341 72 -3.201047618461
255 6 5 2 341 72 -3.201047618461
256 2 5 7 347 73 2.921397914018
257 5 2 7 347 73 2.921397914018
258 2 7 5 347 73 2.921397914018
259 7 2 5 347 73 2.921397914018
260 5 7 2 347 73 2.921397914018
261 7 5 2 347 73 2.921397914018
262 2 6 7 356 75 -0.925580457668
263 6 2 7 356 75 -0.925580457668
264 2 7 6 356 75 -0.925580457668
265 7 2 6 356 75 -0.925580457668
266 6 7 2 356 75 -0.925580457668
267 7 6 2 356 75 -0.925580457668
268 2 7 7 362 76 1.580426586918
269 7 2 7 362 76 1.580426586918
270 7 7 2 362 76 1.580426586918
271 3 3 3 365 77 2.546903367533
272 3 3 6 372 80 -4.717216550899
273 3 6 3 372 80 -4.717216550899
274 6 3 3 372 80 -4.717216550899
275 3 4 4 378 82 1.328004381312
276 4 3 4 378 82 1.328004381312
277 4 4 3 378 82 1.328004381312
278 3 4 5 381 83 -0.5366633332169
279 4 3 5 381 83 -0.5366633332169
280 3 5 4 381 83 -0.5366633332169
281 5 3 4 381 83 -0.5366633332169
282 4 5 3 381 83 -0.5366633332169
283 5 4 3 381 83 -0.5366633332169
284 3 4 7 393 85 -1.22944872908
285 4 3 7 393 85 -1.22944872908
286 3 7 4 393 85 -1.22944872908
287 7 3 4 393 85 -1.22944872908
288 4 7 3 393 85 -1.22944872908
289 7 4 3 393 85 -1.22944872908
290 3 5 5 399 86 2.438520224836
291 5 3 5 399 86 2.438520224836
292 5 5 3 399 86 2.438520224836
293 3 5 6 402 87 1.994878703588
294 5 3 6 402 87 1.994878703588
295 3 6 5 402 87 1.994878703588
296 6 3 5 402 87 1.994878703588
297 5 6 3 402 87 1.994878703588
298 6 5 3 402 87 1.994878703588
299 3 5 7 408 88 0.4294312778181
300 5 3 7 408 88 0.4294312778181
301 3 7 5 408 88 0.4294312778181
302 7 3 5 408 88 0.4294312778181
303 5 7 3 408 88 0.4294312778181
304 7 5 3 408 88 0.4294312778181
305 3 6 7 417 90 1.438251697082
306 6 3 7 417 90 1.438251697082
307 3 7 6 417 90 1.438251697082
308 7 3 6 417 90 1.438251697082
309 6 7 3 417 90 1.438251697082
310 7 6 3 417 90 1.438251697082
311 3 7 7 423 91 0.3805959873207
312 7 3 7 423 91 0.3805959873207
313 7 7 3 423 91 0.3805959873207
314 4 4 5 427 93 -1.200914808826
315 4 5 4 427 93 -1.200914808826
316 5 4 4 427 93 -1.200914808826
317 4 4 6 430 94 0.09376205064938
318 4 6 4 430 94 0.09376205064938
319 6 4 4 430 94 0.09376205064938
320 4 4 7 433 95 -1.220453149787
321 4 7 4 433 95 -1.220453149787
322 7 4 4 433 95 -1.220453149787
323 4 5 6 439 97 -2.386130248804
324 5 4 6 439 97 -2.386130248804
325 4 6 5 439 97 -2.386130248804
326 6 4 5 439 97 -2.386130248804
327 5 6 4 439 97 -2.386130248804
328 6 5 4 439 97 -2.386130248804
329 4 5 7 445 98 1.478463761607
330 5 4 7 445 98 1.478463761607
331 4 7 5 445 98 1.478463761607
332 7 4 5 445 98 1.478463761607
333 5 7 4 445 98 1.478463761607
334 7 5 4 445 98 1.478463761607
335 4 6 6 451 99 -1.569212682704
336 6 4 6 451 99 -1.569212682704
337 6 6 4 451 99 -1.569212682704
338 4 6 7 454 100 -0.3011834907752
339 6 4 7 454 100 -0.3011834907752
340 4 7 6 454 100 -0.3011834907752
341 7 4 6 454 100 -0.3011834907752
342 6 7 4 454 100 -0.3011834907752
343 7 6 4 454 100 -0.3011834907752
344 4 7 7 460 101 0.6963557886032
345 7 4 7 460 101 0.6963557886032
346 7 7 4 460 101 0.6963557886032
347 5 5 6 464 103 1.35350851125
348 5 6 5 464 103 1.35350851125
349 6 5 5 464 103 1.35350851125
350 5 5 7 467 104 -2.630101046544
351 5 7 5 467 104 -2.630101046544
352 7 5 5 467 104 -2.630101046544
353 5 6 6 470 105 -2.471343168146
354 6 5 6 470 105 -2.471343168146
355 6 6 5 470 105 -2.471343168146
356 5 6 7 473 106 0.1914688543982
357 6 5 7 473 106 0.1914688543982
358 5 7 6 473 106 0.1914688543982
359 7 5 6 473 106 0.1914688543982
360 6 7 5 473 106 0.1914688543982
361 7 6 5 473 106 0.1914688543982
362 5 7 7 479 107 -2.634951951816
363 7 5 7 479 107 -2.634951951816
364 7 7 5 479 107 -2.634951951816
365 6 6 7 483 109 -1.273247823117
366 6 7 6 483 109 -1.273247823117
367 7 6 6 483 109 -1.273247823117
368 6 7 7 486 110 -0.4661239487009
369 7 6 7 486 110 -0.4661239487009
370 7 7 6 486 110 -0.4661239487009
371 7 7 7 489 111 -2.098003480095

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 3907.101028944
ENERGY OFFSET 3 0.0
ENDFILE
