0 mol 4 unq 0 iso 0 dist 8.15534 7.58769 6.21697 11.5591 4.88114 10.9924 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 6.3453 9.31993 9.6919 5.64699 8.19687 13.8829 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 6.3453 9.31993 9.6919 7.37113 5.71901 14.6371 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 8.71324 9.5663 7.89535 13.6999 9.3473 11.9527 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 9.5663 8.71324 7.89535 12.6498 6.08228 10.5812 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 9.16791 6.57452 11.6757 15.4318 7.09393 18.6815 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 9.16791 6.57452 11.6757 11.6163 3.87167 15.2168 numMergedOcc 0
7 mol 69 unq 2 iso 0 dist 6.57452 9.16791 11.6757 11.6815 9.22636 19.9553 numMergedOcc 0
8 mol 87 unq 0 iso 0 dist 6.62798 8.21588 5.38943 6.32124 9.10245 12.3515 numMergedOcc 0
9 mol 87 unq 1 iso 0 dist 9.94718 8.15104 5.38943 10.9415 9.10245 12.3515 numMergedOcc 0
10 mol 102 unq 0 iso 0 dist 6.7095 7.90927 12.2274 13.457 8.63522 20.0779 numMergedOcc 0
11 mol 102 unq 1 iso 0 dist 6.7095 7.90927 12.2274 10.8385 5.43401 16.6618 numMergedOcc 0
12 mol 103 unq 0 iso 0 dist 5.8915 7.95136 6.73664 8.5691 7.81042 13.0426 numMergedOcc 0
13 mol 165 unq 0 iso 0 dist 7.22838 9.76113 11.3372 14.3514 9.59989 20.7664 numMergedOcc 0
14 mol 165 unq 1 iso 0 dist 9.76113 7.22838 11.3372 10.2845 8.64349 12.0734 numMergedOcc 0
15 mol 189 unq 0 iso 0 dist 9.36549 6.77351 10.6261 12.9479 7.04604 13.5926 numMergedOcc 0
16 mol 189 unq 1 iso 0 dist 6.77351 9.36549 10.6261 6.32602 8.23197 15.1841 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 9.37257 9.54443 12.4294 5.8741 9.68829 11.5922 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 9.37257 9.54443 12.4294 6.1198 9.085 14.8371 numMergedOcc 0
19 mol 207 unq 0 iso 0 dist 4.70143 5.65418 6.28447 9.07366 8.84785 13.5588 numMergedOcc 0
20 mol 236 unq 0 iso 0 dist 8.80671 9.81411 9.43276 5.98568 7.6402 12.3356 numMergedOcc 0
21 mol 245 unq 0 iso 0 dist 8.03294 6.18575 6.87629 6.5213 7.26913 10.5586 numMergedOcc 0
22 mol 245 unq 1 iso 0 dist 8.03294 6.18575 6.87629 13.9182 6.41862 12.9801 numMergedOcc 0
23 mol 245 unq 2 iso 0 dist 8.03294 6.18575 6.87629 13.8285 8.69377 13.5909 numMergedOcc 0
24 mol 261 unq 0 iso 0 dist 9.66298 6.93654 4.70691 17.0555 9.70222 14.3042 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 7.72433 9.46926 6.70676 10.8867 9.63694 11.475 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 7.72433 9.46926 6.70676 7.8329 6.58277 8.42706 numMergedOcc 0
27 mol 266 unq 2 iso 0 dist 9.46926 7.72433 6.70676 11.7148 8.61786 13.8394 numMergedOcc 0
28 mol 266 unq 3 iso 0 dist 9.46926 7.72433 6.70676 7.8329 8.42706 6.58277 numMergedOcc 0
29 mol 278 unq 0 iso 0 dist 6.03414 7.74708 5.29611 5.49004 8.87405 10.1334 numMergedOcc 0
30 mol 278 unq 1 iso 0 dist 6.03414 9.82026 8.63846 5.49004 8.87405 13.0087 numMergedOcc 0
31 mol 280 unq 0 iso 0 dist 8.64546 4.55639 7.98762 12.2581 8.57733 11.8457 numMergedOcc 0
32 mol 280 unq 1 iso 0 dist 8.64546 4.55639 7.98762 16.0615 9.05509 15.433 numMergedOcc 0
33 mol 280 unq 2 iso 0 dist 3.97964 7.72152 7.98762 8.4621 8.57733 11.8457 numMergedOcc 0
34 mol 280 unq 3 iso 0 dist 3.97964 7.72152 7.98762 10.5502 9.05509 15.433 numMergedOcc 0
35 mol 280 unq 4 iso 0 dist 4.55639 8.64546 7.98762 7.07259 6.83927 11.8404 numMergedOcc 0
36 mol 280 unq 5 iso 0 dist 7.72152 3.97964 7.98762 10.1323 6.83927 11.8404 numMergedOcc 0
