0 mol 4 unq 0 iso 0 dist 8.66947 7.95976 6.66589 11.0452 7.86036 4.88114 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.72872 9.04212 6.09782 11.2365 5.29727 7.00677 numMergedOcc 0
2 mol 143 unq 0 iso 0 dist 7.73769 4.82452 5.30872 6.1299 5.4432 6.68364 numMergedOcc 0
3 mol 159 unq 0 iso 0 dist 9.9971 8.93106 8.55431 10.2034 8.50143 7.60912 numMergedOcc 0
4 mol 162 unq 0 iso 0 dist 5.21803 10.3808 9.42819 11.6794 8.35998 8.954 numMergedOcc 0
5 mol 220 unq 0 iso 0 dist 8.14644 6.4634 8.9077 10.4721 4.90657 7.86207 numMergedOcc 0
6 mol 227 unq 0 iso 0 dist 9.66521 9.54396 6.095 13.9962 5.0258 6.91184 numMergedOcc 0
7 mol 231 unq 0 iso 0 dist 6.02527 5.36501 9.98232 6.00509 5.3251 7.28719 numMergedOcc 0
8 mol 232 unq 0 iso 0 dist 7.57253 13.2803 7.47238 12.4361 4.90814 5.92175 numMergedOcc 0
9 mol 258 unq 0 iso 0 dist 9.2067 15.6893 8.81059 21.5912 13.8694 6.08181 numMergedOcc 0
10 mol 258 unq 1 iso 0 dist 9.2067 15.6893 8.81059 17.3063 9.22664 7.70189 numMergedOcc 0
11 mol 258 unq 2 iso 0 dist 9.16078 15.6893 9.12006 21.5912 14.0402 6.08181 numMergedOcc 0
12 mol 258 unq 3 iso 0 dist 9.16078 15.6893 9.12006 17.3063 13.0489 7.70189 numMergedOcc 0
13 mol 264 unq 0 iso 0 dist 8.85887 6.02878 6.80096 8.93376 5.11257 7.61232 numMergedOcc 0
14 mol 265 unq 0 iso 0 dist 8.49415 13.5795 7.54805 17.246 15.4199 9.56472 numMergedOcc 0
15 mol 265 unq 1 iso 0 dist 8.49415 13.5795 7.54805 17.4161 12.4903 6.5072 numMergedOcc 0
16 mol 265 unq 2 iso 0 dist 8.49415 13.5795 7.54805 12.3647 5.11366 4.03921 numMergedOcc 0
17 mol 281 unq 0 iso 0 dist 9.37845 11.9476 9.48968 12.8729 5.71767 6.7897 numMergedOcc 0
18 mol 285 unq 0 iso 0 dist 9.82717 16.9394 7.66291 14.6527 8.39941 8.08495 numMergedOcc 0
19 mol 285 unq 1 iso 0 dist 8.33653 5.60271 7.66291 8.5942 8.39941 8.08495 numMergedOcc 0
20 mol 285 unq 2 iso 0 dist 6.44657 4.8011 7.66291 10.2164 8.39941 8.08495 numMergedOcc 0
