0 mol 0 unq 0 iso 0 dist 8.24206 5.25456 7.37981 9.5614 13.3337 7.15528 9.40697 12.4868 5.47921 6.94181 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.19218 5.25456 7.19621 9.5614 6.83587 7.15528 9.40697 10.9707 5.47921 6.94181 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.19397 7.1599 7.19621 5.55156 6.83587 7.15528 7.16694 10.9707 5.47921 6.94181 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 9.90117 6.96396 7.21217 6.22805 6.09254 7.10621 5.85668 12.9667 11.2706 7.15434 numMergedOcc 0
4 mol 14 unq 0 iso 0 dist 7.04966 9.55728 8.73627 12.4371 9.18933 6.38364 10.6127 11.6708 5.49061 6.89209 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 5.39171 10.5627 6.89722 6.30194 5.2774 6.19304 6.13631 7.84699 13.4367 8.124 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 5.39171 10.5627 6.89722 18.5427 13.9156 8.70481 16.1129 12.1654 10.3774 8.16299 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 5.39171 10.5627 6.89722 18.5427 13.9156 8.70481 20.512 15.154 12.6626 8.27015 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 9.27355 10.5627 7.26679 6.30194 5.44275 6.19304 6.13631 8.40844 13.4367 8.124 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 9.27355 10.5627 7.26679 18.5427 11.2674 8.70481 16.1129 7.02351 10.3774 8.16299 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 9.27355 10.5627 7.26679 18.5427 11.2674 8.70481 20.512 13.9009 12.6626 8.27015 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 7.67341 5.3967 6.7225 8.35604 5.39296 5.11551 9.50302 10.999 5.47689 6.55511 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 8.78709 9.49952 6.00053 16.4033 11.1879 8.03334 20.2164 18.32 14.0828 8.90247 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 7.86207 10.6943 9.8711 8.9077 4.90657 9.23153 11.9931 8.58709 5.1021 6.21273 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 7.58998 6.87755 6.23882 12.2287 15.0038 8.95269 15.2478 19.6107 14.1073 9.73411 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 7.58998 6.87755 6.23882 12.2287 15.0038 8.95269 10.8164 16.4902 11.8217 7.07564 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 8.57305 6.51074 5.81927 10.3219 9.49027 6.97229 15.4013 14.9652 10.4505 8.44862 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 7.70189 9.78068 8.58088 8.81059 9.22664 6.42289 5.79358 6.59521 5.13233 8.21585 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 8.73077 13.6207 6.77279 15.7201 7.55268 8.53687 17.2659 9.16548 5.20592 5.75874 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 6.76656 10.908 6.77279 14.2826 7.55268 8.53687 15.031 9.16548 5.20592 5.75874 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 9.07452 6.11218 7.80446 6.21831 6.57235 9.10818 6.33183 12.136 7.48637 8.78883 numMergedOcc 0
21 mol 274 unq 1 iso 0 dist 7.21004 6.11218 9.91395 6.21831 4.97216 9.10818 6.33183 5.68643 7.48637 8.78883 numMergedOcc 0
22 mol 274 unq 2 iso 0 dist 6.44266 6.98398 7.80446 8.3291 6.57235 9.10818 9.34663 12.136 7.48637 8.78883 numMergedOcc 0
23 mol 274 unq 3 iso 0 dist 8.75703 6.98398 9.91395 8.3291 4.97216 9.10818 9.34663 5.68643 7.48637 8.78883 numMergedOcc 0
24 mol 280 unq 0 iso 0 dist 7.3304 7.26698 8.85762 8.27417 4.95798 6.0664 10.5216 9.9227 5.80223 8.80588 numMergedOcc 0
