0 mol 11 unq 0 iso 0 dist 9.07476 9.36527 9.81983 9.52695 6.76736 7.98326 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.07476 9.36527 9.81983 14.8064 13.5186 7.90478 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 7.79911 7.42417 5.9372 10.5799 4.11146 5.95834 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 7.79911 10.5851 6.93597 10.5799 4.11146 4.2121 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.6586 12.1061 7.85986 18.4559 12.2839 6.72323 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 7.06029 6.04435 6.86517 11.9711 5.84075 9.78384 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 7.06029 12.3232 8.33791 18.9 13.333 9.26979 numMergedOcc 0
7 mol 79 unq 2 iso 0 dist 7.06029 12.3232 8.33791 18.8914 12.313 9.05679 numMergedOcc 0
8 mol 79 unq 3 iso 0 dist 7.06029 12.3232 8.33791 11.9711 5.84075 4.93468 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 5.48163 4.00884 6.89071 9.95946 8.93569 6.77241 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 5.48163 4.00884 6.89071 6.37888 3.98877 5.50508 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 7.7399 4.1125 6.89071 5.62309 8.93569 6.77241 numMergedOcc 0
12 mol 92 unq 3 iso 0 dist 7.7399 4.1125 6.89071 7.11438 3.98877 5.50508 numMergedOcc 0
13 mol 92 unq 4 iso 0 dist 8.23055 7.47544 8.43964 12.8333 7.08542 9.60622 numMergedOcc 0
14 mol 92 unq 5 iso 0 dist 8.30746 4.16536 8.43964 11.7427 7.08542 9.60622 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 7.08403 15.3457 9.62952 9.09263 5.40648 6.6317 numMergedOcc 0
16 mol 116 unq 0 iso 0 dist 8.50194 5.57288 8.58308 10.2858 4.13755 8.38606 numMergedOcc 0
17 mol 116 unq 1 iso 0 dist 8.24233 10.5065 8.58308 7.6005 4.13755 8.38606 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 8.42225 12.2067 6.21165 13.2393 5.77063 7.20249 numMergedOcc 0
19 mol 129 unq 0 iso 0 dist 7.93106 9.8725 8.98175 14.6181 9.06432 9.73158 numMergedOcc 0
20 mol 129 unq 1 iso 0 dist 7.93106 9.8725 8.98175 15.8472 11.2951 7.59327 numMergedOcc 0
21 mol 129 unq 2 iso 0 dist 7.04904 7.03404 8.98175 12.672 9.06432 9.73158 numMergedOcc 0
22 mol 129 unq 3 iso 0 dist 7.04904 7.03404 8.98175 11.6466 11.2951 7.59327 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 9.82099 4.32578 7.26232 10.5829 3.66752 6.94789 numMergedOcc 0
24 mol 244 unq 0 iso 0 dist 5.16859 4.38246 6.10489 8.57917 5.98501 7.95359 numMergedOcc 0
25 mol 244 unq 1 iso 0 dist 5.16859 4.38246 6.10489 5.79898 10.1665 6.22122 numMergedOcc 0
26 mol 244 unq 2 iso 0 dist 4.79207 4.38246 4.4204 8.57917 5.00596 7.95359 numMergedOcc 0
27 mol 244 unq 3 iso 0 dist 4.79207 4.38246 4.4204 5.79898 5.68434 6.22122 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 9.82713 5.15747 8.09181 9.11072 8.87313 6.88827 numMergedOcc 0
29 mol 274 unq 1 iso 0 dist 9.82713 5.15747 8.09181 6.83113 6.97575 9.16942 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 8.24013 4.60075 6.23115 10.1675 12.1127 8.20644 numMergedOcc 0
31 mol 280 unq 0 iso 0 dist 9.22665 10.1117 9.47429 14.0112 8.71368 6.73712 numMergedOcc 0
32 mol 280 unq 1 iso 0 dist 9.84708 12.9357 9.47429 16.2914 8.71368 6.73712 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 8.71974 9.60695 9.23152 9.86625 5.9468 6.95912 numMergedOcc 0
34 mol 287 unq 1 iso 0 dist 8.82649 16.0897 9.23152 14.7542 5.9468 6.95912 numMergedOcc 0
35 mol 287 unq 2 iso 0 dist 7.35776 12.1974 9.23152 11.142 5.9468 6.95912 numMergedOcc 0
36 mol 288 unq 0 iso 0 dist 8.71974 9.60695 9.23152 9.86625 5.9468 6.95912 numMergedOcc 0
37 mol 288 unq 1 iso 0 dist 8.82649 16.0897 9.23152 14.7542 5.9468 6.95912 numMergedOcc 0
38 mol 288 unq 2 iso 0 dist 7.35776 12.1974 9.23152 11.142 5.9468 6.95912 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 8.71974 9.60695 9.23152 9.86625 5.9468 6.95912 numMergedOcc 0
40 mol 289 unq 1 iso 0 dist 8.82649 16.0897 9.23152 14.7542 5.9468 6.95912 numMergedOcc 0
41 mol 289 unq 2 iso 0 dist 7.35776 12.1974 9.23152 11.142 5.9468 6.95912 numMergedOcc 0
