0 mol 9 unq 0 iso 0 dist 9.9919 7.74667 7.38017 13.8037 6.21879 8.47421 numMergedOcc 0
1 mol 88 unq 0 iso 0 dist 6.64933 4.0486 9.54952 5.82918 5.62882 9.2603 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 9.64544 9.43289 9.78235 9.30724 3.96397 8.39016 numMergedOcc 0
3 mol 90 unq 1 iso 0 dist 9.64544 3.97343 8.92069 9.30724 3.96397 6.99355 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 8.57112 5.89399 6.84197 7.90328 4.07616 4.76815 numMergedOcc 0
5 mol 107 unq 0 iso 0 dist 8.83855 8.49615 7.02709 13.3526 4.91158 8.40312 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 9.43487 11.0812 5.82487 11.4507 3.85992 6.81812 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 9.97052 8.67499 5.82487 13.2053 3.85992 6.81812 numMergedOcc 0
8 mol 113 unq 2 iso 0 dist 7.3324 5.19652 5.82487 5.44714 3.85992 6.81812 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 6.29634 12.1192 8.20715 16.7922 10.6301 9.38288 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 6.29634 12.1192 8.20715 10.2497 4.15435 6.19042 numMergedOcc 0
11 mol 119 unq 2 iso 0 dist 6.29634 12.1192 8.20715 13.4009 9.54775 7.44174 numMergedOcc 0
12 mol 119 unq 3 iso 0 dist 6.29634 5.3154 6.16081 12.0315 6.69435 9.80862 numMergedOcc 0
13 mol 119 unq 4 iso 0 dist 6.29634 5.3154 6.16081 10.2497 4.15435 8.43904 numMergedOcc 0
14 mol 127 unq 0 iso 0 dist 9.91321 8.60326 8.82676 16.2351 16.7971 8.59981 numMergedOcc 0
15 mol 127 unq 1 iso 0 dist 9.91321 8.60326 8.82676 13.306 6.16606 7.34519 numMergedOcc 0
16 mol 127 unq 2 iso 0 dist 9.91321 11.4002 8.17522 13.306 6.16606 6.63981 numMergedOcc 0
17 mol 132 unq 0 iso 0 dist 5.25894 4.90475 5.36351 10.9124 9.99932 6.03703 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 9.32503 6.49108 9.3169 11.3336 6.45748 7.31468 numMergedOcc 0
19 mol 143 unq 1 iso 0 dist 9.32503 6.15159 5.5639 11.3336 6.45748 7.7056 numMergedOcc 0
20 mol 143 unq 2 iso 0 dist 8.58421 9.79072 9.3169 9.9492 6.45748 7.31468 numMergedOcc 0
21 mol 143 unq 3 iso 0 dist 8.58421 5.80488 5.5639 9.9492 6.45748 7.7056 numMergedOcc 0
22 mol 167 unq 0 iso 0 dist 6.00793 8.66436 5.72735 9.19849 4.34476 8.62646 numMergedOcc 0
23 mol 175 unq 0 iso 0 dist 8.49856 4.27736 6.62757 12.4545 14.6281 9.52634 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 9.05875 7.65735 7.06087 11.3867 4.77836 8.60247 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 6.02521 4.94196 6.48765 10.3296 7.51787 7.18041 numMergedOcc 0
26 mol 218 unq 1 iso 0 dist 6.02521 4.94196 6.48765 12.0113 12.2094 7.17547 numMergedOcc 0
27 mol 219 unq 0 iso 0 dist 8.15287 5.0241 7.68645 7.1158 9.7667 4.87541 numMergedOcc 0
28 mol 219 unq 1 iso 0 dist 8.72341 14.1934 7.68645 16.7554 9.7667 4.87541 numMergedOcc 0
29 mol 234 unq 0 iso 0 dist 8.71535 5.44171 9.18589 10.881 14.9393 6.16063 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 6.08044 9.67708 9.29241 10.6734 6.53691 7.04472 numMergedOcc 0
31 mol 287 unq 1 iso 0 dist 6.08044 9.67708 9.29241 15.608 15.3214 6.4778 numMergedOcc 0
32 mol 287 unq 2 iso 0 dist 8.8956 15.5716 9.29241 14.6962 6.53691 7.04472 numMergedOcc 0
33 mol 287 unq 3 iso 0 dist 8.8956 15.5716 9.29241 21.4523 15.3214 6.4778 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 6.08044 9.67708 9.29241 10.6734 6.53691 7.04472 numMergedOcc 0
35 mol 288 unq 1 iso 0 dist 6.08044 9.67708 9.29241 15.608 15.3214 6.4778 numMergedOcc 0
36 mol 288 unq 2 iso 0 dist 8.8956 15.5716 9.29241 14.6962 6.53691 7.04472 numMergedOcc 0
37 mol 288 unq 3 iso 0 dist 8.8956 15.5716 9.29241 21.4523 15.3214 6.4778 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 6.08044 9.67708 9.29241 10.6734 6.53691 7.04472 numMergedOcc 0
39 mol 289 unq 1 iso 0 dist 6.08044 9.67708 9.29241 15.608 15.3214 6.4778 numMergedOcc 0
40 mol 289 unq 2 iso 0 dist 8.8956 15.5716 9.29241 14.6962 6.53691 7.04472 numMergedOcc 0
41 mol 289 unq 3 iso 0 dist 8.8956 15.5716 9.29241 21.4523 15.3214 6.4778 numMergedOcc 0
