0 mol 83 unq 0 iso 0 dist 9.48319 9.93908 14.0049 6.77806 7.72515 16.0039 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 9.26306 6.86975 5.8099 4.65575 7.57394 6.25529 numMergedOcc 0
2 mol 94 unq 0 iso 0 dist 6.63924 7.63006 9.5377 4.48902 9.25496 12.0137 numMergedOcc 0
3 mol 128 unq 0 iso 0 dist 8.20904 7.03633 12.0449 12.8509 8.64054 13.3878 numMergedOcc 0
4 mol 128 unq 1 iso 0 dist 9.82711 7.90691 12.0449 6.61379 8.64054 13.3878 numMergedOcc 0
5 mol 128 unq 2 iso 0 dist 9.82711 8.83011 15.6064 6.61379 8.64054 13.6081 numMergedOcc 0
6 mol 165 unq 0 iso 0 dist 7.22838 6.76066 6.35196 5.97663 6.85551 10.6346 numMergedOcc 0
7 mol 189 unq 0 iso 0 dist 8.01521 9.5853 8.53414 9.29575 6.38294 10.8828 numMergedOcc 0
8 mol 192 unq 0 iso 0 dist 8.82945 9.70308 9.04353 7.41218 7.36571 13.9313 numMergedOcc 0
9 mol 192 unq 1 iso 0 dist 8.82945 9.70308 9.04353 16.7139 9.80122 18.6762 numMergedOcc 0
10 mol 192 unq 2 iso 0 dist 8.82945 9.70308 9.04353 14.6803 9.17137 16.59 numMergedOcc 0
11 mol 195 unq 0 iso 0 dist 8.3941 8.22643 9.48981 8.14211 5.61326 7.92844 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 9.54443 9.88251 11.501 12.5471 5.86839 13.0508 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 9.0815 7.47477 12.4995 7.03455 6.52136 13.7654 numMergedOcc 0
14 mol 209 unq 0 iso 0 dist 9.20752 9.95951 14.6137 9.95813 9.07668 17.0981 numMergedOcc 0
15 mol 209 unq 1 iso 0 dist 9.20752 6.43914 13.8537 9.95813 9.07668 14.2499 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 5.60195 8.84133 5.41948 5.84371 9.89039 12.6994 numMergedOcc 0
17 mol 220 unq 1 iso 0 dist 5.60195 8.84133 5.41948 12.9073 8.57174 12.3489 numMergedOcc 0
18 mol 220 unq 2 iso 0 dist 7.87359 8.81001 5.41948 4.72275 9.89039 12.6994 numMergedOcc 0
19 mol 220 unq 3 iso 0 dist 7.87359 8.81001 5.41948 15.2936 8.57174 12.3489 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 8.33143 6.06105 6.06047 8.88571 7.65121 8.47289 numMergedOcc 0
21 mol 236 unq 0 iso 0 dist 5.46484 9.33359 10.151 5.81446 7.74348 5.6241 numMergedOcc 0
22 mol 252 unq 0 iso 0 dist 5.41885 9.45457 11.8314 6.93011 8.19645 16.3464 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 6.93654 5.67349 11.2562 4.95392 7.58385 10.2554 numMergedOcc 0
24 mol 261 unq 1 iso 0 dist 6.93654 5.67349 11.2562 6.94755 6.0437 11.2569 numMergedOcc 0
25 mol 261 unq 2 iso 0 dist 9.66298 5.67349 13.4429 6.94755 4.85199 11.2569 numMergedOcc 0
26 mol 261 unq 3 iso 0 dist 9.66298 5.67349 13.4429 17.3605 9.72159 21.1638 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 4.98604 9.79154 9.12324 5.51191 6.45597 13.8907 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 4.98604 9.79154 9.12324 5.51191 6.45597 13.8907 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 4.98604 9.79154 9.12324 5.51191 6.45597 13.8907 numMergedOcc 0
