0 mol 7 unq 0 iso 0 dist 6.10226 8.88982 5.70161 16.991 11.2505 9.67164 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.80034 8.88982 4.57188 16.991 13.158 9.67164 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.83056 8.88982 6.09254 16.991 14.899 9.67164 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 7.75901 9.28346 5.17518 4.02928 5.36413 6.07517 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 7.98333 9.70612 5.39129 8.46463 8.62204 9.19165 numMergedOcc 0
5 mol 108 unq 0 iso 0 dist 8.84888 5.45787 12.692 5.45 12.6103 7.93045 numMergedOcc 0
6 mol 110 unq 0 iso 0 dist 7.67702 7.2461 12.3557 4.10689 9.24252 8.49678 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 8.96779 6.76166 9.54131 9.88169 9.47394 9.00918 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 8.96779 6.76166 9.54131 11.8593 9.73195 7.99477 numMergedOcc 0
9 mol 134 unq 2 iso 0 dist 9.29989 8.75736 15.7012 14.0091 20.9672 9.00918 numMergedOcc 0
10 mol 134 unq 3 iso 0 dist 9.29989 8.75736 15.7012 15.5753 22.3612 7.99477 numMergedOcc 0
11 mol 178 unq 0 iso 0 dist 8.71294 5.41229 5.13245 4.00111 11.0762 7.06025 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.4588 8.16369 10.591 14.8867 17.1539 8.73533 numMergedOcc 0
13 mol 217 unq 0 iso 0 dist 9.62606 7.52229 5.42652 3.64097 12.8776 9.62437 numMergedOcc 0
14 mol 234 unq 0 iso 0 dist 7.37405 8.9413 9.8423 14.075 17.0552 7.81215 numMergedOcc 0
15 mol 234 unq 1 iso 0 dist 9.5831 4.91961 6.16697 4.84686 12.4723 7.81215 numMergedOcc 0
16 mol 234 unq 2 iso 0 dist 9.5831 7.14333 16.1011 4.84686 12.4723 5.64285 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 6.02845 5.99137 9.92965 13.9834 17.6917 9.3206 numMergedOcc 0
18 mol 236 unq 1 iso 0 dist 9.35599 5.99137 13.9306 13.9834 22.5502 9.3206 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 5.62744 6.92721 5.29737 3.45727 7.69491 6.73665 numMergedOcc 0
20 mol 239 unq 1 iso 0 dist 7.76984 6.92721 11.4465 3.45727 6.64008 6.73665 numMergedOcc 0
21 mol 257 unq 0 iso 0 dist 8.42116 8.95261 5.86413 3.84196 5.81865 8.83833 numMergedOcc 0
22 mol 257 unq 1 iso 0 dist 8.53984 7.80336 5.86413 5.95711 5.81865 8.83833 numMergedOcc 0
23 mol 257 unq 2 iso 0 dist 9.11074 8.95261 13.8679 3.84196 8.25457 8.83833 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 8.87598 5.29682 6.59107 5.13757 13.6565 9.07743 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 8.87598 6.20344 11.1778 10.4532 17.4832 9.63573 numMergedOcc 0
26 mol 259 unq 2 iso 0 dist 8.87598 6.20344 11.1778 5.13757 13.6565 7.66153 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 8.45634 8.99442 13.9754 6.17318 7.02679 9.9182 numMergedOcc 0
28 mol 292 unq 1 iso 0 dist 8.45634 8.99442 13.9754 4.77323 9.08889 8.9221 numMergedOcc 0
