0 mol 34 unq 0 iso 0 dist 9.12062 7.66913 10.8394 6.00825 5.68877 11.2687 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 7.73902 9.91882 6.29545 4.83564 6.14602 10.6308 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 7.73902 9.91882 6.29545 4.29306 7.41011 6.75026 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 9.12919 7.32157 11.2869 9.01152 7.41802 12.7458 numMergedOcc 0
4 mol 128 unq 0 iso 0 dist 7.4738 9.95168 10.9024 13.9893 9.74232 20.0426 numMergedOcc 0
5 mol 154 unq 0 iso 0 dist 9.71025 8.85675 10.3128 9.05948 6.59749 13.7738 numMergedOcc 0
6 mol 154 unq 1 iso 0 dist 5.67586 5.57798 4.02111 8.1325 8.5081 5.92763 numMergedOcc 0
7 mol 156 unq 0 iso 0 dist 6.72426 6.01599 4.33572 13.2289 9.13184 12.7365 numMergedOcc 0
8 mol 156 unq 1 iso 0 dist 6.72426 6.01599 4.33572 6.91184 7.27593 6.10069 numMergedOcc 0
9 mol 156 unq 2 iso 0 dist 6.72426 5.42285 6.11369 13.2289 9.13184 8.32841 numMergedOcc 0
10 mol 156 unq 3 iso 0 dist 6.72426 5.42285 6.11369 6.91184 7.27593 6.56065 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 6.76781 5.31279 4.11297 6.29823 6.64749 5.77158 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 9.51189 6.19189 11.2568 8.48271 6.64749 12.0848 numMergedOcc 0
13 mol 186 unq 2 iso 0 dist 6.22466 8.34668 5.18732 12.2795 8.52322 10.8472 numMergedOcc 0
14 mol 186 unq 3 iso 0 dist 6.22466 8.76308 12.1022 12.2795 8.52322 20.1801 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 6.88947 9.36089 7.02086 10.8001 9.9224 12.8888 numMergedOcc 0
16 mol 192 unq 1 iso 0 dist 6.88947 8.25221 14.0195 10.8001 9.9224 18.6825 numMergedOcc 0
17 mol 192 unq 2 iso 0 dist 6.88947 6.64416 11.153 10.8001 9.9224 16.703 numMergedOcc 0
18 mol 209 unq 0 iso 0 dist 7.18 8.3505 9.86077 8.06378 9.39076 15.5527 numMergedOcc 0
19 mol 235 unq 0 iso 0 dist 9.48967 4.46919 13.0408 16.3696 8.52954 20.4523 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 5.41373 6.65465 5.62227 6.12374 6.75599 11.3061 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 6.58667 7.64361 13.7282 10.4217 9.027 17.5131 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 6.01542 7.64361 4.60075 5.57184 7.91992 7.88238 numMergedOcc 0
