0 mol 43 unq 0 iso 0 dist 9.57204 6.84521 13.8309 5.84171 13.7611 5.73819 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.57204 8.90024 17.7655 13.9129 21.1743 8.80331 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 9.57204 8.90024 17.7655 5.84171 13.7611 6.20293 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 9.57204 6.78532 14.5683 5.84171 13.7611 8.93915 numMergedOcc 0
4 mol 51 unq 0 iso 0 dist 8.98887 6.67213 5.51811 6.57102 13.7122 9.0709 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 5.88647 5.48831 5.46166 13.0773 15.4232 9.96708 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 5.88647 5.48831 5.46166 10.5933 13.8194 9.78528 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 8.86576 7.96299 11.6072 6.75623 11.0606 5.83409 numMergedOcc 0
8 mol 94 unq 0 iso 0 dist 8.32077 6.31237 10.4772 6.26149 12.5665 7.89459 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 9.96575 8.07365 8.88286 14.1188 15.7605 7.27724 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 8.59592 8.07365 9.02184 14.1188 15.1267 7.27724 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 8.63253 8.84131 6.42572 8.90571 9.01767 7.36792 numMergedOcc 0
12 mol 102 unq 1 iso 0 dist 5.15752 8.84131 5.54551 8.90571 9.80678 7.36792 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 8.35267 9.26438 11.8891 5.68669 10.3063 8.69985 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 8.34402 8.66715 6.80292 14.0905 13.0521 7.11802 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 8.34402 9.00172 11.8155 13.2145 14.9543 6.29155 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 8.34402 9.00172 11.8155 15.719 17.4706 6.80239 numMergedOcc 0
17 mol 133 unq 3 iso 0 dist 8.34402 9.00172 11.8155 14.0905 13.0521 8.00618 numMergedOcc 0
18 mol 133 unq 4 iso 0 dist 8.07957 8.95433 6.80292 11.0811 13.0521 7.11802 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 6.1299 7.73769 5.4432 7.36837 9.32441 5.99315 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 8.81385 7.88846 4.28891 6.17038 8.7347 7.54212 numMergedOcc 0
21 mol 229 unq 0 iso 0 dist 8.55126 8.53615 9.75601 6.81165 14.0942 8.22528 numMergedOcc 0
22 mol 231 unq 0 iso 0 dist 6.00509 6.02527 5.3251 6.68357 7.79865 7.37839 numMergedOcc 0
23 mol 231 unq 1 iso 0 dist 6.00509 6.02527 5.3251 7.6832 6.14348 8.40182 numMergedOcc 0
24 mol 235 unq 0 iso 0 dist 9.37896 7.8128 5.47633 5.49043 9.94654 5.4638 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 9.86445 5.77925 10.054 6.59536 16.0921 8.03456 numMergedOcc 0
26 mol 236 unq 1 iso 0 dist 9.86445 5.77925 10.054 8.93012 16.2964 6.84306 numMergedOcc 0
27 mol 236 unq 2 iso 0 dist 9.86445 5.77925 10.054 12.1686 17.6586 9.99038 numMergedOcc 0
28 mol 236 unq 3 iso 0 dist 9.86445 5.77925 10.054 5.48757 13.4564 9.78037 numMergedOcc 0
29 mol 236 unq 4 iso 0 dist 9.86445 5.77925 10.054 10.5925 8.77254 8.35971 numMergedOcc 0
30 mol 249 unq 0 iso 0 dist 8.75137 7.79723 6.6173 4.24754 7.29898 7.57994 numMergedOcc 0
31 mol 249 unq 1 iso 0 dist 8.75137 8.14526 8.95486 4.24754 7.29898 6.18582 numMergedOcc 0
32 mol 249 unq 2 iso 0 dist 7.82699 7.79723 5.25611 4.24754 8.91685 7.57994 numMergedOcc 0
33 mol 249 unq 3 iso 0 dist 7.82699 8.14526 9.66184 4.24754 8.91685 6.18582 numMergedOcc 0
34 mol 265 unq 0 iso 0 dist 9.04513 8.49415 13.1882 4.05162 11.7975 8.4218 numMergedOcc 0
35 mol 278 unq 0 iso 0 dist 5.7099 9.91518 9.40662 12.8387 13.774 8.44326 numMergedOcc 0
36 mol 294 unq 0 iso 0 dist 9.91042 7.77765 12.9029 9.62211 14.5766 8.15665 numMergedOcc 0
