0 mol 51 unq 0 iso 0 dist 8.75256 5.24913 7.76282 12.5216 9.40732 9.29602 numMergedOcc 0
1 mol 70 unq 0 iso 0 dist 9.33262 9.9009 9.31969 11.5974 9.72349 9.90552 numMergedOcc 0
2 mol 70 unq 1 iso 0 dist 9.33262 9.66495 6.54023 11.5974 9.72349 5.31426 numMergedOcc 0
3 mol 70 unq 2 iso 0 dist 4.67358 9.17087 9.31969 8.07272 9.72349 9.90552 numMergedOcc 0
4 mol 70 unq 3 iso 0 dist 4.67358 5.33532 6.54023 8.07272 9.72349 5.31426 numMergedOcc 0
5 mol 94 unq 0 iso 0 dist 7.63006 10.119 8.16733 11.6276 7.55497 4.47969 numMergedOcc 0
6 mol 94 unq 1 iso 0 dist 7.63006 6.26149 9.97569 11.6276 7.55497 11.165 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 9.17137 12.602 5.88354 9.67831 8.12456 5.68803 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 9.17137 14.9745 7.89665 9.67831 8.12456 8.28823 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 9.17137 6.80307 5.39354 9.67831 8.12456 5.8011 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 9.17137 5.37332 5.74854 9.67831 8.12456 5.68885 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 9.17137 12.921 8.76566 9.67831 8.12456 11.4897 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 9.17137 10.4811 8.8368 9.67831 8.12456 14.0498 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.37793 13.2145 6.76699 12.9222 6.85886 5.47259 numMergedOcc 0
14 mol 196 unq 0 iso 0 dist 8.93322 8.40781 8.20691 7.96109 6.42817 9.03641 numMergedOcc 0
15 mol 207 unq 0 iso 0 dist 9.72041 5.6688 8.85547 5.99107 8.75919 6.90153 numMergedOcc 0
16 mol 207 unq 1 iso 0 dist 5.86317 7.31502 8.32218 5.99107 7.28811 5.16403 numMergedOcc 0
17 mol 207 unq 2 iso 0 dist 5.86317 5.6688 7.96797 5.99107 7.28811 6.90153 numMergedOcc 0
18 mol 229 unq 0 iso 0 dist 7.09453 9.84917 8.92743 5.01865 4.96527 5.31837 numMergedOcc 0
19 mol 229 unq 1 iso 0 dist 7.09453 6.89 8.08082 5.01865 4.96527 5.64514 numMergedOcc 0
20 mol 229 unq 2 iso 0 dist 7.09453 9.68525 5.77318 5.01865 4.96527 6.39663 numMergedOcc 0
21 mol 229 unq 3 iso 0 dist 7.09453 10.7618 8.19603 5.01865 4.96527 11.7737 numMergedOcc 0
22 mol 229 unq 4 iso 0 dist 8.69109 15.4506 8.92743 10.4687 4.96527 5.31837 numMergedOcc 0
23 mol 229 unq 5 iso 0 dist 8.69109 10.808 8.08082 10.4687 4.96527 5.64514 numMergedOcc 0
24 mol 229 unq 6 iso 0 dist 8.69109 11.9018 5.77318 10.4687 4.96527 6.39663 numMergedOcc 0
25 mol 229 unq 7 iso 0 dist 8.69109 5.93705 8.19603 10.4687 4.96527 11.7737 numMergedOcc 0
26 mol 252 unq 0 iso 0 dist 9.44744 11.8815 6.11473 6.73456 7.19006 12.0836 numMergedOcc 0
27 mol 264 unq 0 iso 0 dist 9.91954 15.213 7.52281 6.31215 9.15844 12.1058 numMergedOcc 0
28 mol 264 unq 1 iso 0 dist 9.91954 7.50444 6.42588 6.31215 9.15844 7.76042 numMergedOcc 0
29 mol 294 unq 0 iso 0 dist 5.78275 9.13951 7.91611 11.4468 9.99503 6.14573 numMergedOcc 0
