0 mol 46 unq 0 iso 0 dist 8.16059 5.37947 9.7218 5.83277 5.2568 9.92539 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 8.96223 14.6817 9.77301 7.15195 9.07741 9.17803 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 8.96223 14.6817 9.77301 4.09906 8.0388 11.7107 numMergedOcc 0
3 mol 55 unq 2 iso 0 dist 8.96223 14.6817 9.77301 11.4933 9.7883 4.98995 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 7.78306 4.61198 7.02558 6.97401 7.88522 10.2227 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 8.6308 12.5661 9.46251 4.28396 5.28331 10.8515 numMergedOcc 0
6 mol 110 unq 0 iso 0 dist 8.97683 9.44492 7.24538 9.59418 9.45247 7.32685 numMergedOcc 0
7 mol 148 unq 0 iso 0 dist 9.74966 9.75787 8.9755 10.527 7.53552 3.56704 numMergedOcc 0
8 mol 148 unq 1 iso 0 dist 9.74966 7.53325 6.58752 10.527 7.53552 5.6048 numMergedOcc 0
9 mol 150 unq 0 iso 0 dist 9.87914 9.78599 9.06573 10.5134 7.49948 3.56413 numMergedOcc 0
10 mol 150 unq 1 iso 0 dist 9.87914 7.68304 6.62442 10.5134 7.49948 5.53516 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 8.98636 16.8215 8.99159 15.4738 8.24388 4.9682 numMergedOcc 0
12 mol 165 unq 0 iso 0 dist 6.31455 6.67873 5.5411 3.67488 9.93641 9.57484 numMergedOcc 0
13 mol 176 unq 0 iso 0 dist 7.02608 6.72746 9.2569 11.5221 7.69241 8.5262 numMergedOcc 0
14 mol 176 unq 1 iso 0 dist 7.02608 6.72746 9.2569 5.5435 8.56192 11.846 numMergedOcc 0
15 mol 176 unq 2 iso 0 dist 7.02608 6.72746 9.2569 10.9534 7.77962 9.16728 numMergedOcc 0
16 mol 176 unq 3 iso 0 dist 7.02608 6.72746 9.2569 12.9083 8.6431 9.81633 numMergedOcc 0
17 mol 183 unq 0 iso 0 dist 9.81282 17.0614 8.74697 13.7825 8.58178 11.3222 numMergedOcc 0
18 mol 183 unq 1 iso 0 dist 9.81282 17.0614 8.74697 9.83347 4.77438 11.0234 numMergedOcc 0
19 mol 183 unq 2 iso 0 dist 9.81282 17.0614 8.74697 5.14341 5.73344 12.1127 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 8.21112 12.3793 9.69941 6.20494 9.88692 17.4322 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 8.21112 12.3793 9.69941 13.2338 9.38368 18.7822 numMergedOcc 0
22 mol 205 unq 2 iso 0 dist 7.06533 13.5692 9.69941 5.10421 9.88692 17.4322 numMergedOcc 0
23 mol 205 unq 3 iso 0 dist 7.06533 13.5692 9.69941 9.56612 9.38368 18.7822 numMergedOcc 0
24 mol 205 unq 4 iso 0 dist 5.94835 5.61877 9.69941 14.6973 9.88692 17.4322 numMergedOcc 0
25 mol 205 unq 5 iso 0 dist 5.94835 5.61877 9.69941 13.8741 9.38368 18.7822 numMergedOcc 0
26 mol 205 unq 6 iso 0 dist 6.76947 10.5655 6.88402 13.8741 9.29298 11.235 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 4.99301 6.27118 5.90784 5.8264 6.04509 4.04107 numMergedOcc 0
28 mol 253 unq 0 iso 0 dist 9.35766 7.29241 5.80702 6.10294 9.137 7.64377 numMergedOcc 0
29 mol 253 unq 1 iso 0 dist 9.35766 7.29241 5.80702 5.04216 8.0127 4.87368 numMergedOcc 0
