0 mol 5 unq 0 iso 0 dist 9.68326 5.74912 7.95876 11.248 7.74636 10.0149 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.18111 8.39309 7.95876 13.8389 7.74636 10.0149 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 5.59847 5.51815 6.54358 13.2938 9.89425 9.68636 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.6834 13.4994 7.95042 4.30555 7.7447 15.4638 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.94712 5.40129 7.16132 5.15508 9.41463 6.91496 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 7.21134 9.59206 5.99857 16.036 9.08745 8.67853 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 7.21134 10.6174 6.9362 16.036 9.08745 10.8149 numMergedOcc 0
7 mol 69 unq 2 iso 0 dist 7.40698 5.36659 5.99857 11.2122 9.08745 8.67853 numMergedOcc 0
8 mol 69 unq 3 iso 0 dist 7.40698 5.6966 6.9362 11.2122 9.08745 10.8149 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 8.57607 4.16047 8.27883 6.56529 4.3439 4.73066 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 8.57607 8.68514 7.7152 6.56529 4.3439 4.20834 numMergedOcc 0
11 mol 95 unq 2 iso 0 dist 6.1991 4.16047 5.75428 6.56529 6.05855 4.73066 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 5.32773 12.9469 8.80934 3.71942 4.30875 13.0914 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 5.32773 12.9469 8.80934 9.01611 8.65807 12.5818 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 9.4275 5.65129 6.59889 14.7423 8.60651 10.6994 numMergedOcc 0
15 mol 152 unq 1 iso 0 dist 9.4275 10.5295 6.70693 14.7423 8.60651 4.68615 numMergedOcc 0
16 mol 184 unq 0 iso 0 dist 8.09403 4.59843 5.96423 9.24858 5.23187 5.03539 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.00537 11.4985 8.90571 16.5552 9.17458 9.14919 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 9.00537 11.4985 8.90571 14.3824 7.36794 9.11577 numMergedOcc 0
19 mol 186 unq 2 iso 0 dist 9.00537 9.40374 6.61112 16.5552 9.17458 12.2442 numMergedOcc 0
20 mol 186 unq 3 iso 0 dist 9.00537 9.40374 6.61112 14.3824 7.36794 11.7398 numMergedOcc 0
21 mol 186 unq 4 iso 0 dist 8.9388 8.63909 8.90571 9.09753 9.17458 9.14919 numMergedOcc 0
22 mol 186 unq 5 iso 0 dist 8.9388 8.63909 8.90571 6.7472 7.36794 9.11577 numMergedOcc 0
23 mol 186 unq 6 iso 0 dist 8.9388 12.4751 6.61112 9.09753 9.17458 12.2442 numMergedOcc 0
24 mol 186 unq 7 iso 0 dist 8.9388 12.4751 6.61112 6.7472 7.36794 11.7398 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 6.32553 9.40714 6.52816 3.30102 4.97301 6.49049 numMergedOcc 0
26 mol 213 unq 0 iso 0 dist 8.04327 7.18317 8.21793 4.88386 9.02881 4.67313 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 8.63804 4.81906 5.56538 11.3307 8.88902 8.89157 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 6.92276 6.19292 6.29377 5.7279 8.60314 3.99115 numMergedOcc 0
29 mol 235 unq 1 iso 0 dist 6.92276 6.83244 5.70635 5.7279 8.60314 10.0427 numMergedOcc 0
30 mol 235 unq 2 iso 0 dist 8.75776 11.041 6.29377 11.2299 8.60314 3.99115 numMergedOcc 0
31 mol 235 unq 3 iso 0 dist 8.75776 7.64039 5.70635 11.2299 8.60314 10.0427 numMergedOcc 0
32 mol 252 unq 0 iso 0 dist 7.95045 7.16035 7.15764 3.58934 7.62991 9.73449 numMergedOcc 0
33 mol 252 unq 1 iso 0 dist 7.95045 7.16035 7.15764 14.1621 9.81261 9.93981 numMergedOcc 0
