0 mol 30 unq 0 iso 0 dist 9.28346 11.6636 5.61656 13.824 5.03351 8.67487 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 9.28346 11.6636 5.61656 10.7688 5.34368 6.95343 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.99509 4.97991 8.92291 8.47617 5.06502 6.79185 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.99509 4.97991 8.92291 5.73331 5.89973 8.37962 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 8.47617 4.97991 6.79185 8.99509 5.06502 8.92291 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 8.47617 4.97991 6.79185 5.73331 6.45462 8.37962 numMergedOcc 0
6 mol 43 unq 4 iso 0 dist 5.73331 4.97991 8.37962 8.99509 5.89973 8.92291 numMergedOcc 0
7 mol 43 unq 5 iso 0 dist 5.73331 4.97991 8.37962 8.47617 6.45462 6.79185 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 8.25679 10.4559 9.30559 15.9612 13.5016 5.96359 numMergedOcc 0
9 mol 88 unq 1 iso 0 dist 8.25679 10.4559 9.30559 16.7697 11.8813 7.48974 numMergedOcc 0
10 mol 88 unq 2 iso 0 dist 8.25679 10.4559 9.30559 16.728 11.6198 8.40428 numMergedOcc 0
11 mol 110 unq 0 iso 0 dist 8.93253 6.03696 6.78225 13.1286 5.00116 9.11812 numMergedOcc 0
12 mol 110 unq 1 iso 0 dist 8.93253 6.03696 6.78225 8.1306 4.56913 6.2967 numMergedOcc 0
13 mol 110 unq 2 iso 0 dist 8.1306 6.03696 6.2967 13.1286 8.3284 9.11812 numMergedOcc 0
14 mol 110 unq 3 iso 0 dist 8.1306 6.03696 6.2967 8.93253 4.56913 6.78225 numMergedOcc 0
15 mol 127 unq 0 iso 0 dist 8.09965 4.85433 5.72373 10.0545 5.55757 7.20988 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 7.94593 5.0944 5.08591 12.5882 6.2715 8.03727 numMergedOcc 0
17 mol 183 unq 0 iso 0 dist 9.09322 11.1709 7.89803 11.7243 6.64382 7.24772 numMergedOcc 0
18 mol 183 unq 1 iso 0 dist 9.09322 11.1709 7.89803 16.6434 8.1508 9.75243 numMergedOcc 0
19 mol 183 unq 2 iso 0 dist 9.60723 4.82578 7.89803 11.5806 6.64382 7.24772 numMergedOcc 0
20 mol 183 unq 3 iso 0 dist 9.60723 4.82578 7.89803 12.9507 8.1508 9.75243 numMergedOcc 0
21 mol 206 unq 0 iso 0 dist 7.94694 11.3482 5.52084 14.0477 7.73294 4.90825 numMergedOcc 0
22 mol 213 unq 0 iso 0 dist 7.22234 14.5443 8.29133 8.48081 5.45334 8.96646 numMergedOcc 0
23 mol 213 unq 1 iso 0 dist 5.86501 11.4798 8.29133 10.1705 5.45334 8.96646 numMergedOcc 0
24 mol 213 unq 2 iso 0 dist 8.48081 14.5443 8.96646 7.22234 5.45334 8.29133 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 6.15754 10.5297 7.72403 8.9413 5.88703 6.35438 numMergedOcc 0
26 mol 234 unq 1 iso 0 dist 6.15754 10.5297 7.72403 16.0461 15.2225 9.57132 numMergedOcc 0
27 mol 234 unq 2 iso 0 dist 6.6281 10.3089 7.72403 11.5469 5.88703 6.35438 numMergedOcc 0
28 mol 234 unq 3 iso 0 dist 6.6281 10.3089 7.72403 18.5331 15.2225 9.57132 numMergedOcc 0
29 mol 234 unq 4 iso 0 dist 8.9413 10.5297 6.35438 6.15754 5.88703 7.72403 numMergedOcc 0
30 mol 234 unq 5 iso 0 dist 8.9413 10.5297 6.35438 16.0461 10.2693 9.57132 numMergedOcc 0
31 mol 234 unq 6 iso 0 dist 4.91961 6.66957 6.35438 10.2233 5.88703 7.72403 numMergedOcc 0
32 mol 234 unq 7 iso 0 dist 4.91961 6.66957 6.35438 7.14333 10.2693 9.57132 numMergedOcc 0
33 mol 234 unq 8 iso 0 dist 7.14333 6.66957 9.57132 10.2233 15.2225 7.72403 numMergedOcc 0
34 mol 234 unq 9 iso 0 dist 7.14333 6.66957 9.57132 4.91961 10.2693 6.35438 numMergedOcc 0
35 mol 239 unq 0 iso 0 dist 6.92721 7.23841 5.45139 13.9666 12.7454 8.10769 numMergedOcc 0
