0 mol 13 unq 0 iso 0 dist 8.75871 5.66635 6.11444 7.04754 8.47514 6.70295 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 8.75871 5.66635 6.11444 9.78361 7.39086 5.61058 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.75375 5.95109 7.8701 10.3522 8.40483 7.3848 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.75375 6.66381 9.78326 10.3522 8.40483 5.47357 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 7.29373 6.38992 8.90701 5.46715 9.89546 5.39546 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.07389 14.6778 7.32236 5.84171 9.07906 13.1056 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 8.07389 14.6778 7.32236 9.30759 8.75567 13.0177 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 6.35752 10.3397 9.8821 5.53115 5.62694 13.5661 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 6.35752 8.31117 8.80003 5.53115 5.62694 11.1406 numMergedOcc 0
9 mol 81 unq 0 iso 0 dist 8.32098 4.95744 6.95637 5.60367 7.19581 4.32473 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 9.20807 8.81947 9.1819 6.88429 8.82395 12.8633 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 5.27549 9.6653 6.14769 7.36905 8.5457 10.5565 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 5.27549 9.6653 6.14769 6.1358 6.7928 6.75714 numMergedOcc 0
13 mol 120 unq 2 iso 0 dist 5.27549 9.6653 6.14769 8.18801 7.59189 4.93797 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 9.40368 14.7066 8.76341 12.7556 7.13306 10.449 numMergedOcc 0
15 mol 130 unq 1 iso 0 dist 7.14034 10.7544 8.76341 6.51295 7.13306 10.449 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 7.71402 13.5763 9.50912 12.6052 6.85239 10.5479 numMergedOcc 0
17 mol 167 unq 1 iso 0 dist 7.71402 13.5763 9.50912 12.4033 5.72735 6.45463 numMergedOcc 0
18 mol 167 unq 2 iso 0 dist 7.71402 7.83927 5.74367 12.6052 6.85239 5.74656 numMergedOcc 0
19 mol 167 unq 3 iso 0 dist 7.71402 7.83927 5.74367 12.4033 5.72735 6.67469 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 8.13982 6.43666 8.11956 4.70216 9.37545 5.25279 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 8.13982 6.43666 8.11956 6.13422 6.02579 9.29114 numMergedOcc 0
22 mol 240 unq 0 iso 0 dist 9.67363 8.48707 6.91279 12.2549 5.31041 5.36005 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 6.27395 6.0183 4.70178 10.7661 8.13183 5.2574 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 6.27395 6.0183 4.70178 11.3436 6.78929 7.48984 numMergedOcc 0
25 mol 261 unq 0 iso 0 dist 9.00616 9.89992 5.46946 4.63237 9.00426 7.89933 numMergedOcc 0
26 mol 261 unq 1 iso 0 dist 6.35699 9.89992 8.24264 4.63237 8.19348 7.89933 numMergedOcc 0
27 mol 261 unq 2 iso 0 dist 6.35699 4.95392 9.66703 4.63237 8.19348 6.79406 numMergedOcc 0
28 mol 264 unq 0 iso 0 dist 6.45486 6.69331 9.98068 6.64458 8.48407 6.49051 numMergedOcc 0
29 mol 264 unq 1 iso 0 dist 6.45486 6.10576 6.41028 6.64458 8.48407 4.41644 numMergedOcc 0
