0 mol 41 unq 0 iso 0 dist 5.36895 5.07641 7.99312 8.54745 8.2183 5.36342 6.85618 9.17982 4.11117 4.81484 numMergedOcc 0
1 mol 41 unq 0 iso 1 dist 5.36895 8.54745 8.2183 5.07641 7.99312 5.36342 6.85618 9.17982 4.81484 4.11117 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 5.36895 5.07641 7.99312 8.54745 8.2183 5.36342 8.25624 9.62869 4.77073 7.03449 numMergedOcc 0
3 mol 41 unq 1 iso 1 dist 5.36895 8.54745 8.2183 5.07641 7.99312 5.36342 8.25624 9.62869 7.03449 4.77073 numMergedOcc 0
4 mol 41 unq 2 iso 0 dist 5.36895 5.07641 7.99312 8.54745 8.2183 5.36342 5.36021 6.40219 6.69486 7.02983 numMergedOcc 0
5 mol 41 unq 2 iso 1 dist 5.36895 8.54745 8.2183 5.07641 7.99312 5.36342 5.36021 6.40219 7.02983 6.69486 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.06275 5.5249 8.80331 10.4413 6.20293 8.13395 7.62357 9.02471 12.6657 14.0654 numMergedOcc 0
7 mol 43 unq 0 iso 1 dist 8.06275 10.4413 6.20293 5.5249 8.80331 8.13395 7.62357 9.02471 14.0654 12.6657 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.90024 13.9129 8.80331 5.84171 6.20293 8.13395 16.9091 9.02471 12.6657 14.0654 numMergedOcc 0
9 mol 43 unq 1 iso 1 dist 8.90024 5.84171 6.20293 13.9129 8.80331 8.13395 16.9091 9.02471 14.0654 12.6657 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 9.43143 10.5786 8.8178 16.2349 9.96708 10.7394 10.2533 4.86198 5.21565 10.7434 numMergedOcc 0
11 mol 72 unq 0 iso 1 dist 9.43143 16.2349 9.96708 10.5786 8.8178 10.7394 10.2533 4.86198 10.7434 5.21565 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 9.83528 12.3158 5.08437 15.1765 6.48948 9.51923 11.4714 7.92856 8.29813 13.2057 numMergedOcc 0
13 mol 98 unq 0 iso 1 dist 9.83528 15.1765 6.48948 12.3158 5.08437 9.51923 11.4714 7.92856 13.2057 8.29813 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 9.83528 12.3158 5.08437 8.06684 6.10456 8.40073 11.4714 7.92856 8.29813 12.7473 numMergedOcc 0
15 mol 98 unq 1 iso 1 dist 9.83528 8.06684 6.10456 12.3158 5.08437 8.40073 11.4714 7.92856 12.7473 8.29813 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 9.83528 15.1765 6.48948 8.06684 6.10456 9.42358 11.4714 7.92856 13.2057 12.7473 numMergedOcc 0
17 mol 98 unq 1 iso 1 dist 9.83528 8.06684 6.10456 15.1765 6.48948 9.42358 11.4714 7.92856 12.7473 13.2057 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 7.54969 11.7493 5.08437 10.3366 6.48948 9.51923 12.9689 7.92856 8.29813 13.2057 numMergedOcc 0
19 mol 98 unq 2 iso 1 dist 7.54969 10.3366 6.48948 11.7493 5.08437 9.51923 12.9689 7.92856 13.2057 8.29813 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 7.54969 11.7493 5.08437 5.15322 6.10456 8.40073 12.9689 7.92856 8.29813 12.7473 numMergedOcc 0
21 mol 98 unq 3 iso 1 dist 7.54969 5.15322 6.10456 11.7493 5.08437 8.40073 12.9689 7.92856 12.7473 8.29813 numMergedOcc 0
22 mol 98 unq 3 iso 0 dist 7.54969 10.3366 6.48948 5.15322 6.10456 9.42358 12.9689 7.92856 13.2057 12.7473 numMergedOcc 0
23 mol 98 unq 3 iso 1 dist 7.54969 5.15322 6.10456 10.3366 6.48948 9.42358 12.9689 7.92856 12.7473 13.2057 numMergedOcc 0
24 mol 120 unq 0 iso 0 dist 5.06555 7.75534 8.75408 5.61914 6.44653 5.23036 8.14689 6.42623 5.6295 3.824 numMergedOcc 0
25 mol 120 unq 0 iso 1 dist 5.06555 5.61914 6.44653 7.75534 8.75408 5.23036 8.14689 6.42623 3.824 5.6295 numMergedOcc 0
26 mol 120 unq 1 iso 0 dist 5.06555 7.75534 8.75408 5.61914 6.44653 5.23036 5.74365 8.95899 8.97962 4.96885 numMergedOcc 0
27 mol 120 unq 1 iso 1 dist 5.06555 5.61914 6.44653 7.75534 8.75408 5.23036 5.74365 8.95899 4.96885 8.97962 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 8.34839 5.65129 8.56324 10.5295 6.70283 7.65448 14.1262 9.00072 12.2243 4.73288 numMergedOcc 0
29 mol 152 unq 0 iso 1 dist 8.34839 10.5295 6.70283 5.65129 8.56324 7.65448 14.1262 9.00072 4.73288 12.2243 numMergedOcc 0
30 mol 152 unq 1 iso 0 dist 8.34839 5.65129 8.56324 10.7929 7.16148 10.6875 14.1262 9.00072 12.2243 4.70284 numMergedOcc 0
31 mol 152 unq 1 iso 1 dist 8.34839 10.7929 7.16148 5.65129 8.56324 10.6875 14.1262 9.00072 4.70284 12.2243 numMergedOcc 0
32 mol 152 unq 1 iso 0 dist 8.34839 10.5295 6.70283 10.7929 7.16148 5.49936 14.1262 9.00072 4.73288 4.70284 numMergedOcc 0
33 mol 152 unq 1 iso 1 dist 8.34839 10.7929 7.16148 10.5295 6.70283 5.49936 14.1262 9.00072 4.70284 4.73288 numMergedOcc 0
34 mol 178 unq 0 iso 0 dist 8.04723 14.4072 6.69288 13.0519 6.43573 5.34677 12.3914 4.72821 4.69387 3.70233 numMergedOcc 0
35 mol 178 unq 0 iso 1 dist 8.04723 13.0519 6.43573 14.4072 6.69288 5.34677 12.3914 4.72821 3.70233 4.69387 numMergedOcc 0
36 mol 178 unq 1 iso 0 dist 8.04723 14.4072 6.69288 10.5681 7.17202 11.7381 12.3914 4.72821 4.69387 7.39705 numMergedOcc 0
37 mol 178 unq 1 iso 1 dist 8.04723 10.5681 7.17202 14.4072 6.69288 11.7381 12.3914 4.72821 7.39705 4.69387 numMergedOcc 0
38 mol 178 unq 2 iso 0 dist 8.04723 14.4072 6.69288 9.1499 8.81551 14.0703 12.3914 4.72821 4.69387 9.77268 numMergedOcc 0
39 mol 178 unq 2 iso 1 dist 8.04723 9.1499 8.81551 14.4072 6.69288 14.0703 12.3914 4.72821 9.77268 4.69387 numMergedOcc 0
40 mol 178 unq 1 iso 0 dist 8.04723 13.0519 6.43573 10.5681 7.17202 9.89739 12.3914 4.72821 3.70233 7.39705 numMergedOcc 0
41 mol 178 unq 1 iso 1 dist 8.04723 10.5681 7.17202 13.0519 6.43573 9.89739 12.3914 4.72821 7.39705 3.70233 numMergedOcc 0
42 mol 178 unq 2 iso 0 dist 8.04723 13.0519 6.43573 9.1499 8.81551 10.5529 12.3914 4.72821 3.70233 9.77268 numMergedOcc 0
43 mol 178 unq 2 iso 1 dist 8.04723 9.1499 8.81551 13.0519 6.43573 10.5529 12.3914 4.72821 9.77268 3.70233 numMergedOcc 0
44 mol 178 unq 2 iso 0 dist 8.04723 10.5681 7.17202 9.1499 8.81551 5.18005 12.3914 4.72821 7.39705 9.77268 numMergedOcc 0
45 mol 178 unq 2 iso 1 dist 8.04723 9.1499 8.81551 10.5681 7.17202 5.18005 12.3914 4.72821 9.77268 7.39705 numMergedOcc 0
46 mol 205 unq 0 iso 0 dist 8.57514 5.56395 9.61492 12.397 7.45763 11.8283 13.7017 9.31158 10.8636 5.42503 numMergedOcc 0
47 mol 205 unq 0 iso 1 dist 8.57514 12.397 7.45763 5.56395 9.61492 11.8283 13.7017 9.31158 5.42503 10.8636 numMergedOcc 0
48 mol 205 unq 1 iso 0 dist 6.11505 9.35174 9.61492 11.3225 7.45763 11.8283 13.9601 9.31158 10.8636 5.42503 numMergedOcc 0
49 mol 205 unq 1 iso 1 dist 6.11505 11.3225 7.45763 9.35174 9.61492 11.8283 13.9601 9.31158 5.42503 10.8636 numMergedOcc 0
50 mol 231 unq 0 iso 0 dist 6.02527 6.68357 7.37839 7.6832 8.40182 4.06055 11.6594 9.9868 16.456 17.7601 numMergedOcc 0
51 mol 231 unq 0 iso 1 dist 6.02527 7.6832 8.40182 6.68357 7.37839 4.06055 11.6594 9.9868 17.7601 16.456 numMergedOcc 0
52 mol 231 unq 1 iso 0 dist 6.02527 6.68357 7.37839 7.6832 8.40182 4.06055 7.54254 7.3268 6.63423 10.3815 numMergedOcc 0
53 mol 231 unq 1 iso 1 dist 6.02527 7.6832 8.40182 6.68357 7.37839 4.06055 7.54254 7.3268 10.3815 6.63423 numMergedOcc 0
54 mol 274 unq 0 iso 0 dist 9.13226 10.7073 7.56915 11.3302 8.49997 6.33073 8.82131 9.83622 4.24652 7.38951 numMergedOcc 0
55 mol 274 unq 0 iso 1 dist 9.13226 11.3302 8.49997 10.7073 7.56915 6.33073 8.82131 9.83622 7.38951 4.24652 numMergedOcc 0
