0 mol 43 unq 0 iso 0 dist 8.06275 9.72346 9.86609 5.5249 8.80331 7.39848 numMergedOcc 0
1 mol 102 unq 0 iso 0 dist 8.84131 9.00369 3.48119 8.90571 7.36792 5.54256 numMergedOcc 0
2 mol 112 unq 0 iso 0 dist 7.85583 8.83567 4.69658 4.38646 7.71338 6.87434 numMergedOcc 0
3 mol 112 unq 1 iso 0 dist 8.86938 6.79584 4.69658 4.9102 7.71338 6.87434 numMergedOcc 0
4 mol 112 unq 2 iso 0 dist 7.42474 6.79584 13.1881 4.9102 11.8312 6.87434 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 9.70016 7.25771 5.46207 13.2553 5.86073 9.30832 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 8.43116 9.82655 12.6623 6.47836 11.4095 5.93278 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 6.23645 9.82655 6.34182 6.47836 6.90986 5.93278 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 5.06555 8.0889 5.61274 5.61914 6.44653 7.53694 numMergedOcc 0
9 mol 124 unq 0 iso 0 dist 6.71293 6.67979 9.79481 8.29712 14.8242 8.57739 numMergedOcc 0
10 mol 142 unq 0 iso 0 dist 4.93681 6.4119 4.05822 12.8283 9.2313 8.04118 numMergedOcc 0
11 mol 142 unq 1 iso 0 dist 4.93681 6.4119 4.05822 10.1677 7.73169 8.39035 numMergedOcc 0
12 mol 142 unq 2 iso 0 dist 9.57509 8.40522 9.082 7.17212 13.371 8.04118 numMergedOcc 0
13 mol 142 unq 3 iso 0 dist 9.57509 8.40522 9.082 10.4957 16.4358 8.39035 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 6.11505 4.72209 7.35363 4.84308 10.9575 7.13783 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 9.43611 6.26596 4.15355 11.2069 8.82096 9.06459 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 6.45574 8.28824 4.75609 6.70342 5.4638 8.08965 numMergedOcc 0
17 mol 248 unq 0 iso 0 dist 7.40475 5.76741 6.19721 7.63032 7.69895 7.79063 numMergedOcc 0
18 mol 248 unq 1 iso 0 dist 7.40475 5.76741 6.19721 6.42334 7.21521 9.64778 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 9.80409 8.55479 11.4108 6.39263 8.45658 8.24356 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 8.49415 5.44039 7.71667 4.05162 8.4218 5.7944 numMergedOcc 0
21 mol 294 unq 0 iso 0 dist 7.77765 7.0445 14.5847 9.13951 14.9913 8.88595 numMergedOcc 0
