0 mol 9 unq 0 iso 0 dist 8.58584 7.70405 6.44447 7.90063 13.1899 8.01055 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.58584 7.70405 6.44447 4.86477 12.2666 8.61976 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.36315 9.34433 9.87265 5.9674 9.64058 7.32913 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 5.64864 7.65981 6.19308 8.24859 10.605 8.11345 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 8.93435 7.65981 7.34363 8.24859 8.60174 8.11345 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 9.00943 6.09042 10.8346 11.2147 17.6992 9.11512 numMergedOcc 0
6 mol 94 unq 0 iso 0 dist 6.33571 6.63924 4.84577 4.48902 8.30781 9.25496 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 6.9898 7.95136 7.38372 5.29804 9.907 7.66418 numMergedOcc 0
8 mol 103 unq 1 iso 0 dist 6.9898 5.8915 9.52982 5.29804 9.907 8.078 numMergedOcc 0
9 mol 103 unq 2 iso 0 dist 6.9898 5.8915 9.52982 8.4824 13.8083 6.56481 numMergedOcc 0
10 mol 105 unq 0 iso 0 dist 6.39563 6.88033 4.39711 4.81647 10.1343 8.51572 numMergedOcc 0
11 mol 165 unq 0 iso 0 dist 8.90256 7.22838 11.5466 5.97663 13.0754 6.85551 numMergedOcc 0
12 mol 187 unq 0 iso 0 dist 9.469 9.55621 11.1486 9.61673 15.1017 5.58167 numMergedOcc 0
13 mol 187 unq 1 iso 0 dist 9.469 9.55621 11.1486 12.9459 12.8865 8.0501 numMergedOcc 0
14 mol 206 unq 0 iso 0 dist 6.38821 9.0815 11.5097 7.03455 12.0228 6.52136 numMergedOcc 0
15 mol 206 unq 1 iso 0 dist 5.98212 9.0815 7.44363 7.03455 5.90912 6.52136 numMergedOcc 0
16 mol 206 unq 2 iso 0 dist 7.16312 9.0815 11.8011 7.03455 9.97579 6.52136 numMergedOcc 0
17 mol 209 unq 0 iso 0 dist 9.53736 9.20752 5.14198 9.95813 12.4646 9.07668 numMergedOcc 0
18 mol 209 unq 1 iso 0 dist 8.10644 8.67577 6.27157 8.04189 13.4609 9.79293 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 6.21062 8.33143 12.3986 8.88571 10.6656 7.65121 numMergedOcc 0
20 mol 225 unq 1 iso 0 dist 7.26267 8.33143 4.8373 8.88571 11.1564 7.65121 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 9.91899 8.49961 8.53372 13.284 16.2046 8.48545 numMergedOcc 0
22 mol 245 unq 0 iso 0 dist 5.40784 8.03294 5.24264 8.2332 11.6545 9.96585 numMergedOcc 0
23 mol 245 unq 1 iso 0 dist 5.40784 8.03294 5.24264 9.39435 10.5731 7.27022 numMergedOcc 0
24 mol 245 unq 2 iso 0 dist 5.40784 8.03294 5.24264 15.5115 12.7967 7.95061 numMergedOcc 0
25 mol 252 unq 0 iso 0 dist 7.85891 9.4344 10.2256 7.49568 13.7174 8.19645 numMergedOcc 0
26 mol 252 unq 1 iso 0 dist 8.19911 5.41885 10.2256 6.93011 13.7174 8.19645 numMergedOcc 0
27 mol 257 unq 0 iso 0 dist 9.63168 9.94785 11.3284 5.25261 11.9182 8.09912 numMergedOcc 0
28 mol 257 unq 1 iso 0 dist 6.19814 9.94785 10.5994 5.25261 10.125 8.09912 numMergedOcc 0
29 mol 271 unq 0 iso 0 dist 6.67008 7.34621 8.83991 7.6271 13.8649 9.00071 numMergedOcc 0
30 mol 281 unq 0 iso 0 dist 9.60142 6.81536 13.2822 9.38089 17.7 7.65321 numMergedOcc 0
