0 mol 10 unq 0 iso 0 dist 9.96463 9.38983 16.2882 15.2778 9.99109 20.5695 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 9.67403 7.31677 12.9303 8.24748 8.30431 14.1039 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.66744 6.69184 7.92924 14.7261 5.39171 13.1329 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 9.06225 8.92491 5.22567 8.04327 7.02854 5.73235 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 8.71103 5.55798 9.57704 6.05149 7.41952 8.64686 numMergedOcc 0
5 mol 99 unq 0 iso 0 dist 5.33644 5.61946 4.74328 6.02095 6.81741 8.68674 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 8.63018 6.65878 5.06265 5.0466 7.07421 7.6453 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 6.85651 6.9268 5.35551 8.75242 9.07294 5.79195 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 6.85651 6.9268 5.35551 14.0828 7.50126 9.2759 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 7.03858 8.19166 5.35551 6.45333 9.07294 5.79195 numMergedOcc 0
10 mol 133 unq 3 iso 0 dist 7.03858 8.19166 5.35551 11.5586 7.50126 9.2759 numMergedOcc 0
11 mol 136 unq 0 iso 0 dist 9.87222 7.65792 7.92003 10.7093 9.33635 14.2607 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 8.52428 5.47265 4.61905 7.75436 9.13646 5.32865 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 8.77869 8.03695 5.5542 15.3374 8.954 11.8375 numMergedOcc 0
14 mol 183 unq 0 iso 0 dist 7.38821 7.99897 6.39127 4.0252 7.69421 8.29364 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.89709 6.36789 6.12748 12.6035 7.02662 6.72718 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 7.252 5.21088 8.77024 13.2525 7.30965 15.9037 numMergedOcc 0
17 mol 192 unq 1 iso 0 dist 7.252 9.78743 5.21255 13.2525 7.30965 6.2016 numMergedOcc 0
18 mol 192 unq 2 iso 0 dist 7.252 8.25609 13.9721 13.2525 7.30965 20.2172 numMergedOcc 0
19 mol 212 unq 0 iso 0 dist 7.73701 7.27225 9.32379 7.5418 9.26387 11.3453 numMergedOcc 0
20 mol 217 unq 0 iso 0 dist 8.79299 7.80898 5.16489 4.10975 6.01666 7.60302 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 8.68803 4.53228 5.94643 6.54316 9.59937 7.58554 numMergedOcc 0
22 mol 245 unq 0 iso 0 dist 6.58637 9.59668 3.53109 5.43086 6.41862 7.95061 numMergedOcc 0
23 mol 245 unq 1 iso 0 dist 6.58637 9.59668 3.53109 8.73552 9.85927 10.2635 numMergedOcc 0
24 mol 245 unq 2 iso 0 dist 5.48167 9.59668 9.71014 5.43086 8.69377 7.95061 numMergedOcc 0
25 mol 265 unq 0 iso 0 dist 8.22353 8.01664 3.89234 8.39994 9.56472 12.3511 numMergedOcc 0
26 mol 265 unq 1 iso 0 dist 8.22353 8.01664 3.89234 5.62902 9.50814 7.52632 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 4.75866 9.73763 11.1133 12.8228 9.98985 19.4324 numMergedOcc 0
28 mol 280 unq 0 iso 0 dist 7.10723 6.16854 5.40352 9.13465 7.02503 10.6331 numMergedOcc 0
29 mol 280 unq 1 iso 0 dist 7.10723 6.16854 5.40352 14.2183 9.18164 14.3004 numMergedOcc 0
30 mol 280 unq 2 iso 0 dist 8.01368 6.16854 4.54252 13.0497 9.05509 12.5215 numMergedOcc 0
31 mol 283 unq 0 iso 0 dist 7.90132 5.90728 8.51629 5.37953 7.53773 9.10215 numMergedOcc 0
