0 mol 8 unq 0 iso 0 dist 4.92734 6.26138 6.31827 7.35767 8.96553 12.1933 7.97177 8.53529 10.4926 4.36226 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 4.92734 6.57999 8.4069 7.35767 8.96553 9.62879 7.97177 8.53529 7.18019 4.36226 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 6.4754 7.3795 6.23795 7.06064 9.62879 12.4058 5.3298 7.18019 8.44009 4.36226 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 6.57999 4.92734 8.4069 7.35767 9.62879 8.96553 7.97177 7.18019 8.53529 4.36226 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 6.57999 6.26138 5.27819 7.35767 9.62879 12.1933 7.97177 7.18019 10.4926 4.36226 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 9.22151 6.22122 4.33106 4.96681 7.57578 7.17969 6.63966 8.50222 7.55264 6.08585 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 6.22122 9.22151 4.33106 4.96681 7.17969 7.57578 6.63966 7.55264 8.50222 6.08585 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 6.68311 9.96602 10.1538 8.1124 8.8178 13.4854 15.1138 9.27838 18.5388 15.434 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 6.68311 9.96602 10.1538 15.0607 9.96708 15.1902 15.1138 9.27838 18.5388 11.6378 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 5.70279 8.96916 5.33144 5.92158 7.47343 6.45675 10.838 8.30845 10.6086 12.2861 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 5.70279 8.96916 5.33144 5.92158 7.47343 6.45675 11.4018 8.76378 13.2102 15.5385 numMergedOcc 0
11 mol 100 unq 2 iso 0 dist 5.70279 8.96916 5.33144 5.85449 6.65086 10.1409 10.838 8.30845 10.6086 5.80144 numMergedOcc 0
12 mol 100 unq 3 iso 0 dist 5.70279 8.96916 5.33144 5.85449 6.65086 10.1409 11.4018 8.76378 13.2102 12.3577 numMergedOcc 0
13 mol 100 unq 4 iso 0 dist 5.70279 8.96916 5.33144 7.68675 6.56369 11.8665 10.838 8.30845 10.6086 10.0456 numMergedOcc 0
14 mol 100 unq 5 iso 0 dist 5.70279 8.96916 5.33144 7.68675 6.56369 11.8665 11.4018 8.76378 13.2102 4.97045 numMergedOcc 0
15 mol 100 unq 6 iso 0 dist 5.70279 8.96916 5.33144 9.53223 9.30209 13.912 10.838 8.30845 10.6086 6.70236 numMergedOcc 0
16 mol 100 unq 7 iso 0 dist 5.70279 8.96916 5.33144 9.53223 9.30209 13.912 11.4018 8.76378 13.2102 10.7791 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 8.84523 9.45397 4.98336 14.7654 8.69985 13.4572 10.8869 7.80523 12.2341 7.74599 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 9.79004 8.43069 5.61668 10.0277 7.24514 10.2995 13.2968 7.71248 12.4749 4.34568 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 9.79004 8.43069 5.61668 7.33132 8.22656 6.82262 13.2968 7.71248 12.4749 10.6025 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 5.57904 7.27598 5.00817 7.41837 6.54501 9.5126 12.4426 7.80532 10.7586 7.41674 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 5.57904 7.27598 5.00817 6.50005 6.49416 6.37586 12.4426 7.80532 10.7586 9.87376 numMergedOcc 0
22 mol 156 unq 0 iso 0 dist 9.19499 7.11647 5.56175 5.66289 7.44554 8.94056 5.02458 9.44367 7.90267 5.4555 numMergedOcc 0
23 mol 156 unq 1 iso 0 dist 9.19499 7.11647 5.56175 5.66289 7.44554 8.94056 15.8724 9.47433 14.7758 11.9952 numMergedOcc 0
24 mol 156 unq 2 iso 0 dist 7.11647 9.19499 5.56175 5.59399 7.66148 12.0598 5.02458 7.90267 9.44367 6.03934 numMergedOcc 0
25 mol 156 unq 3 iso 0 dist 7.11647 9.19499 5.56175 5.66289 8.94056 7.44554 5.02458 7.90267 9.44367 5.4555 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 8.90247 6.58792 6.01247 5.114 9.1374 9.94371 6.56225 6.2479 6.22122 6.6251 numMergedOcc 0
27 mol 181 unq 1 iso 0 dist 8.90247 6.58792 6.01247 14.0828 8.03334 10.9639 6.56225 6.2479 6.22122 7.81713 numMergedOcc 0
28 mol 229 unq 0 iso 0 dist 8.8557 5.00457 5.57838 5.65373 8.22528 7.03423 10.4939 8.66332 11.1976 6.65022 numMergedOcc 0
29 mol 278 unq 0 iso 0 dist 8.83775 7.58272 8.29447 4.66992 8.44326 10.6095 4.36832 8.00673 6.62841 4.97614 numMergedOcc 0
