0 mol 9 unq 0 iso 0 dist 7.05346 8.30653 4.3947 8.50424 8.076 12.1193 12.7944 6.81435 10.1533 9.57198 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 7.04044 9.73086 7.8972 5.11416 6.48232 6.14542 8.70133 11.2505 6.15714 7.10439 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.73253 8.68662 10.9746 6.56633 6.48232 8.96616 4.65521 11.2505 6.10063 7.10439 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 8.73253 7.4369 7.8972 6.56633 6.48232 6.14542 4.65521 11.2505 6.15714 7.10439 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.27693 9.85905 6.48293 6.45686 9.75201 7.46095 8.19682 5.77727 4.00608 7.03226 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 7.12017 7.82475 13.4027 9.75737 9.5669 17.2742 14.448 10.2428 22.0907 7.09065 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 7.12017 5.35782 12.068 9.75737 9.5669 14.2997 14.448 10.2428 19.6825 7.09065 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 7.36779 9.66543 4.935 7.1797 9.30061 9.0176 11.425 8.05714 9.48887 8.55616 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 7.36779 9.66543 4.935 7.1797 9.30061 9.0176 13.0121 9.65798 5.67107 8.73604 numMergedOcc 0
9 mol 134 unq 2 iso 0 dist 8.20836 7.21868 4.935 4.57832 9.30061 9.0176 11.2292 8.05714 9.48887 8.55616 numMergedOcc 0
10 mol 134 unq 3 iso 0 dist 8.20836 7.21868 4.935 4.57832 9.30061 9.0176 8.79571 9.65798 5.67107 8.73604 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 6.69515 8.07097 5.25982 7.42649 6.94988 5.29898 6.93652 8.00633 4.22522 5.26989 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 7.35824 9.63417 5.68406 11.8693 5.89564 10.8314 11.8821 5.95187 8.85399 5.4997 numMergedOcc 0
13 mol 175 unq 1 iso 0 dist 7.35824 9.63417 5.68406 6.77832 5.60528 10.5288 9.52634 6.05776 4.14392 8.99988 numMergedOcc 0
14 mol 175 unq 2 iso 0 dist 7.35824 9.63417 5.68406 6.77832 5.60528 10.5288 11.8821 5.95187 8.85399 6.99693 numMergedOcc 0
15 mol 175 unq 3 iso 0 dist 9.17364 9.63417 9.31641 6.77832 5.5995 10.5288 9.52634 5.85047 4.14392 8.99988 numMergedOcc 0
16 mol 175 unq 4 iso 0 dist 9.17364 9.63417 9.31641 6.77832 5.5995 10.5288 11.8821 5.46129 8.85399 6.99693 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.83476 7.2793 6.38897 14.4429 7.02575 12.6585 15.2392 6.20673 11.3984 8.97471 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 9.83476 9.51091 8.93258 14.4429 7.02575 15.5879 15.2392 6.20673 12.6114 8.97471 numMergedOcc 0
19 mol 186 unq 2 iso 0 dist 9.83476 7.85184 11.924 14.4429 7.02575 15.7057 15.2392 6.20673 14.817 8.97471 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 6.6561 6.50998 6.35462 7.17211 8.20162 11.432 10.7328 7.13893 13.317 7.73748 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 6.6561 9.09424 5.94765 7.17211 8.20162 13.1625 10.7328 7.13893 10.43 7.73748 numMergedOcc 0
22 mol 225 unq 2 iso 0 dist 6.6561 8.14831 11.2847 7.17211 8.20162 10.351 10.7328 7.13893 10.7885 7.73748 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 7.83711 6.71524 8.03712 4.9377 6.57921 9.9183 11.4727 7.0877 14.5281 7.17337 numMergedOcc 0
24 mol 257 unq 0 iso 0 dist 9.69696 7.81897 5.96144 6.74593 9.43042 10.3681 7.27505 5.04668 7.89807 8.60481 numMergedOcc 0
