0 mol 1 unq 0 iso 0 dist 8.61411 5.55519 5.74199 9.76602 10.4951 6.2936 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 8.71103 6.05149 7.41952 13.5556 9.30887 7.99438 numMergedOcc 0
2 mol 79 unq 1 iso 0 dist 8.71103 6.05149 7.41952 12.4799 11.3722 6.64915 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.99537 6.18402 7.12199 6.37888 7.27534 5.74593 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 9.99537 6.18402 7.12199 11.9724 9.23369 8.02376 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 7.81131 4.24483 7.90837 7.11127 9.58876 5.74593 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 7.81131 4.24483 7.90837 6.91655 5.64135 8.02376 numMergedOcc 0
7 mol 92 unq 4 iso 0 dist 6.78043 8.6267 8.67865 13.0999 9.52463 6.15654 numMergedOcc 0
8 mol 92 unq 5 iso 0 dist 6.78043 8.6267 8.67865 10.7591 6.07224 7.89887 numMergedOcc 0
9 mol 92 unq 6 iso 0 dist 5.74364 4.68995 8.67865 9.18898 9.52463 6.15654 numMergedOcc 0
10 mol 92 unq 7 iso 0 dist 5.74364 4.68995 8.67865 7.67331 6.07224 7.89887 numMergedOcc 0
11 mol 92 unq 8 iso 0 dist 8.60026 4.68995 8.40148 9.18898 9.30089 6.15654 numMergedOcc 0
12 mol 92 unq 9 iso 0 dist 8.60026 4.68995 8.40148 7.67331 5.77554 7.89887 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 9.12964 5.65554 9.18835 9.41356 10.1606 5.12002 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 9.12964 5.65554 9.18835 10.6645 5.30162 8.46914 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 9.49104 8.22726 5.33543 5.49198 5.45341 7.50264 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 6.32669 3.56357 8.56593 7.6793 4.8653 8.71007 numMergedOcc 0
17 mol 147 unq 0 iso 0 dist 8.52428 7.75436 9.13646 9.41073 7.24469 8.40219 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 8.77869 15.3374 8.954 11.8662 4.55978 6.80226 numMergedOcc 0
19 mol 197 unq 0 iso 0 dist 5.79753 12.1167 8.51118 10.4552 4.91904 9.87211 numMergedOcc 0
20 mol 197 unq 1 iso 0 dist 5.79753 12.1167 8.51118 13.1777 7.59634 6.3997 numMergedOcc 0
21 mol 197 unq 2 iso 0 dist 7.56537 5.79567 8.51118 8.98598 4.91904 9.87211 numMergedOcc 0
22 mol 197 unq 3 iso 0 dist 7.56537 5.79567 8.51118 7.06689 7.59634 6.3997 numMergedOcc 0
23 mol 197 unq 4 iso 0 dist 9.89975 5.79567 6.5 8.98598 6.79468 9.87211 numMergedOcc 0
24 mol 197 unq 5 iso 0 dist 9.89975 5.79567 6.5 7.06689 5.31205 6.3997 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 7.19213 5.55359 7.00683 11.7905 6.08392 9.46973 numMergedOcc 0
26 mol 204 unq 1 iso 0 dist 5.67196 4.72843 7.00683 8.62191 6.08392 9.46973 numMergedOcc 0
27 mol 220 unq 0 iso 0 dist 8.65696 9.42128 8.98362 17.0427 14.9758 8.32948 numMergedOcc 0
28 mol 226 unq 0 iso 0 dist 8.10096 6.92911 7.20862 11.0668 8.58832 5.3747 numMergedOcc 0
29 mol 244 unq 0 iso 0 dist 6.06284 5.45847 6.51428 13.3863 16.0237 9.97458 numMergedOcc 0
30 mol 253 unq 0 iso 0 dist 7.03809 9.0218 9.58767 12.8056 7.48646 9.50983 numMergedOcc 0
31 mol 257 unq 0 iso 0 dist 8.9297 4.65989 6.51449 8.4302 11.0338 8.64133 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 9.71653 6.05412 8.57035 12.4522 9.43169 9.24164 numMergedOcc 0
33 mol 280 unq 0 iso 0 dist 7.10723 9.13465 7.02503 14.0112 11.9041 9.38952 numMergedOcc 0
34 mol 280 unq 1 iso 0 dist 8.01368 13.0497 9.05509 14.0112 11.0648 7.42529 numMergedOcc 0
35 mol 280 unq 2 iso 0 dist 6.8664 7.59724 7.02503 16.2914 11.9041 9.38952 numMergedOcc 0
