0 mol 1 unq 0 iso 0 dist 8.61411 9.76602 10.4951 5.55519 5.74199 6.2936 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.61411 8.54314 9.49258 5.55519 5.74199 9.97046 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 7.99404 8.44864 8.76488 7.76098 9.1686 14.6594 numMergedOcc 0
3 mol 10 unq 1 iso 0 dist 7.99404 8.44864 8.76488 8.20812 8.99402 12.9775 numMergedOcc 0
4 mol 10 unq 2 iso 0 dist 7.99404 8.44864 8.76488 9.87224 7.3489 8.82638 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 6.21423 9.45566 6.30672 6.5318 8.23606 13.5083 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.99537 6.37888 7.27534 6.18402 7.12199 5.74593 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 7.81131 7.11127 9.58876 4.24483 7.90837 5.74593 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 7.81131 6.91655 5.64135 4.24483 7.90837 8.02376 numMergedOcc 0
9 mol 92 unq 3 iso 0 dist 5.74364 9.18898 9.52463 4.68995 8.67865 6.15654 numMergedOcc 0
10 mol 92 unq 4 iso 0 dist 5.74364 7.67331 6.07224 4.68995 8.67865 7.89887 numMergedOcc 0
11 mol 92 unq 5 iso 0 dist 8.60026 9.18898 9.30089 4.68995 8.40148 6.15654 numMergedOcc 0
12 mol 92 unq 6 iso 0 dist 8.60026 7.67331 5.77554 4.68995 8.40148 7.89887 numMergedOcc 0
13 mol 128 unq 0 iso 0 dist 5.4772 8.87314 5.85033 6.22373 8.94995 14.1733 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 9.49104 5.49198 5.45341 8.22726 5.33543 7.50264 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 9.49104 8.7311 10.2702 8.22726 5.33543 13.1655 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 6.32669 7.6793 4.8653 3.56357 8.56593 8.71007 numMergedOcc 0
17 mol 147 unq 0 iso 0 dist 8.52428 9.41073 7.24469 7.75436 9.13646 8.40219 numMergedOcc 0
18 mol 148 unq 0 iso 0 dist 9.22427 9.80819 14.6053 14.778 9.71692 14.2261 numMergedOcc 0
19 mol 150 unq 0 iso 0 dist 9.32504 9.81665 14.5231 14.922 9.73708 14.2195 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 4.96259 6.95568 5.87168 5.53632 8.78709 10.2433 numMergedOcc 0
21 mol 197 unq 0 iso 0 dist 7.56537 8.98598 4.91904 5.79567 8.51118 9.87211 numMergedOcc 0
22 mol 197 unq 1 iso 0 dist 7.56537 7.06689 7.59634 5.79567 8.51118 6.3997 numMergedOcc 0
23 mol 197 unq 2 iso 0 dist 7.56537 9.69601 10.3181 5.79567 8.51118 14.5693 numMergedOcc 0
24 mol 197 unq 3 iso 0 dist 9.89975 8.98598 6.79468 5.79567 6.5 9.87211 numMergedOcc 0
25 mol 197 unq 4 iso 0 dist 9.89975 7.06689 5.31205 5.79567 6.5 6.3997 numMergedOcc 0
26 mol 197 unq 5 iso 0 dist 9.89975 9.69601 15.0675 5.79567 6.5 14.5693 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 5.67196 8.62191 6.08392 4.72843 7.00683 9.46973 numMergedOcc 0
28 mol 226 unq 0 iso 0 dist 8.10096 7.04477 7.93097 6.92911 7.20862 12.0615 numMergedOcc 0
29 mol 257 unq 0 iso 0 dist 8.9297 8.4302 11.0338 4.65989 6.51449 8.64133 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 9.4886 8.63176 8.01004 12.1075 8.57305 14.7385 numMergedOcc 0
