0 mol 24 unq 0 iso 0 dist 8.11143 6.88453 7.49157 5.85737 4.19221 8.0319 13.0211 8.66248 6.86014 11.4109 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.81562 4.80528 9.02471 7.21995 3.83842 8.03754 12.8866 12.6657 8.80331 14.0204 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.81562 4.80528 9.02471 7.21995 3.83842 8.03754 10.6604 14.0654 6.20293 13.1056 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.02693 6.58444 9.10566 8.44279 4.40015 9.41049 4.24428 3.85805 5.93252 4.60412 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.58248 17.249 9.10566 10.6837 4.40015 9.41049 12.424 3.85805 5.93252 4.60412 numMergedOcc 0
5 mol 122 unq 0 iso 0 dist 4.821 6.28781 4.42563 10.7113 6.39355 8.75778 11.9171 7.90729 8.37808 9.00329 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 4.4077 4.80675 7.97548 7.6453 6.61102 8.00624 10.1938 12.5321 8.54584 15.4586 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 8.4874 4.80675 9.64164 7.6453 9.0678 8.00624 10.1938 11.3755 8.54584 15.4586 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 9.07315 14.7437 9.00072 22.3146 15.2106 8.41774 18.2844 12.2243 8.56324 13.1435 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 9.07315 14.7437 9.00072 22.3146 15.2106 8.41774 11.3133 4.73288 6.70283 13.793 numMergedOcc 0
10 mol 152 unq 2 iso 0 dist 9.07315 14.7437 9.00072 22.3146 15.2106 8.41774 13.5498 4.70284 7.16148 11.2124 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 8.06817 8.88239 5.36671 11.2333 11.1876 9.23645 15.9047 12.8624 9.87651 6.45463 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 8.83628 14.3203 9.31158 16.3219 10.5366 6.94789 19.1456 10.8636 9.61492 6.98812 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 8.83628 14.3203 9.31158 16.3219 10.5366 6.94789 10.8734 5.42503 7.45763 12.019 numMergedOcc 0
14 mol 205 unq 2 iso 0 dist 8.83628 14.3203 9.31158 12.9615 9.27501 6.23932 19.1456 10.8636 9.61492 13.4557 numMergedOcc 0
15 mol 205 unq 3 iso 0 dist 8.83628 14.3203 9.31158 12.9615 9.27501 6.23932 10.8734 5.42503 7.45763 4.37383 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 6.93942 4.75041 5.77511 13.4027 10.7148 8.82388 11.7899 11.5574 7.32223 5.32928 numMergedOcc 0
17 mol 253 unq 1 iso 0 dist 6.93942 4.75041 5.77511 13.4027 10.7148 8.82388 11.9069 10.2118 8.31064 9.65021 numMergedOcc 0
18 mol 253 unq 2 iso 0 dist 9.05161 4.75041 7.81382 13.4027 10.7198 8.82388 11.7899 12.8384 7.32223 5.32928 numMergedOcc 0
19 mol 253 unq 3 iso 0 dist 9.05161 4.75041 7.81382 13.4027 10.7198 8.82388 11.9069 12.4811 8.31064 9.65021 numMergedOcc 0
20 mol 253 unq 4 iso 0 dist 6.3093 4.84708 9.19385 11.6315 10.8478 8.82388 7.80525 5.85692 7.32223 5.32928 numMergedOcc 0
21 mol 253 unq 5 iso 0 dist 6.3093 4.84708 9.19385 11.6315 10.8478 8.82388 7.71295 6.0222 8.31064 9.65021 numMergedOcc 0
22 mol 253 unq 6 iso 0 dist 9.31626 8.62694 5.77511 15.5103 10.7148 8.82388 15.1349 11.5574 7.32223 5.32928 numMergedOcc 0
23 mol 253 unq 7 iso 0 dist 9.31626 8.62694 5.77511 15.5103 10.7148 8.82388 16.7284 10.2118 8.31064 9.65021 numMergedOcc 0
24 mol 253 unq 8 iso 0 dist 9.77366 8.62694 7.81382 15.5103 10.7198 8.82388 15.1349 12.8384 7.32223 5.32928 numMergedOcc 0
25 mol 253 unq 9 iso 0 dist 9.77366 8.62694 7.81382 15.5103 10.7198 8.82388 16.7284 12.4811 8.31064 9.65021 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 4.1545 5.77904 4.9764 8.15119 9.21484 4.81916 8.35794 11.8607 9.7748 7.94155 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 4.25172 5.77904 6.36559 8.15119 10.3506 4.81916 8.35794 10.9137 9.7748 7.94155 numMergedOcc 0
