0 mol 56 unq 0 iso 0 dist 9.01516 9.10389 9.78177 14.3481 8.63486 18.2661 numMergedOcc 0
1 mol 56 unq 1 iso 0 dist 9.01516 15.9259 7.03635 14.3481 8.63486 10.6193 numMergedOcc 0
2 mol 56 unq 2 iso 0 dist 7.31255 9.82154 9.78177 14.2307 8.63486 18.2661 numMergedOcc 0
3 mol 56 unq 3 iso 0 dist 7.31255 5.83999 7.03635 14.2307 8.63486 10.6193 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.0534 9.90214 8.39494 4.91508 8.03303 5.4527 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 8.09408 6.92136 9.27584 6.38992 8.00777 6.53819 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 8.09408 6.92136 9.27584 9.13494 7.1589 9.9705 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 5.89661 6.77664 8.16531 8.38283 9.81831 14.5206 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 5.89661 6.77664 8.16531 6.13065 9.12858 10.2104 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 5.89661 6.77664 8.16531 11.0971 9.4523 12.7325 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 5.89661 9.75871 8.98593 8.38283 9.81831 10.145 numMergedOcc 0
11 mol 93 unq 4 iso 0 dist 5.89661 9.75871 8.98593 6.13065 9.12858 13.574 numMergedOcc 0
12 mol 93 unq 5 iso 0 dist 5.89661 9.75871 8.98593 11.0971 9.4523 16.236 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 6.07991 8.76178 5.5606 9.52181 6.34525 4.77991 numMergedOcc 0
14 mol 124 unq 0 iso 0 dist 9.8727 8.38434 7.28496 5.58502 8.97264 4.97215 numMergedOcc 0
15 mol 124 unq 1 iso 0 dist 9.8727 8.38434 7.28496 4.7632 8.80896 9.28205 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 9.7578 11.833 5.14185 12.3609 9.11712 5.09291 numMergedOcc 0
17 mol 171 unq 1 iso 0 dist 9.85967 13.1335 5.14185 15.1894 9.11712 5.09291 numMergedOcc 0
18 mol 203 unq 0 iso 0 dist 6.97422 5.8706 8.08419 11.7852 8.72527 9.59306 numMergedOcc 0
19 mol 212 unq 0 iso 0 dist 7.90906 4.72503 4.72269 10.3349 8.57827 7.1502 numMergedOcc 0
20 mol 212 unq 1 iso 0 dist 7.90906 4.72503 4.72269 9.83647 6.29767 5.3615 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 7.11989 10.4947 5.98014 6.3985 9.2581 10.6512 numMergedOcc 0
22 mol 222 unq 1 iso 0 dist 7.11989 10.4947 5.98014 11.068 9.62632 5.03763 numMergedOcc 0
23 mol 222 unq 2 iso 0 dist 7.11989 10.4947 5.98014 12.6853 7.862 4.81992 numMergedOcc 0
24 mol 276 unq 0 iso 0 dist 9.55021 11.9652 4.92907 14.1702 6.70215 7.18694 numMergedOcc 0
25 mol 276 unq 1 iso 0 dist 9.55021 11.9652 4.92907 11.8927 7.25423 5.55879 numMergedOcc 0
26 mol 276 unq 2 iso 0 dist 9.55021 11.9652 4.92907 9.3062 7.88706 5.49958 numMergedOcc 0
27 mol 276 unq 3 iso 0 dist 9.55021 11.9652 4.92907 9.23255 7.23916 11.4256 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 7.84195 4.8694 9.56438 11.4893 8.29305 10.3409 numMergedOcc 0
29 mol 279 unq 1 iso 0 dist 7.84195 4.8694 9.56438 12.9462 6.43341 12.3922 numMergedOcc 0
30 mol 279 unq 2 iso 0 dist 9.2174 14.5542 9.56438 4.98462 8.29305 10.3409 numMergedOcc 0
31 mol 279 unq 3 iso 0 dist 9.2174 14.5542 9.56438 7.30763 6.43341 12.3922 numMergedOcc 0
