0 mol 0 unq 0 iso 0 dist 9.94248 16.5727 9.23213 12.4801 8.34244 5.24778 5.22416 8.66548 12.9149 8.73015 numMergedOcc 0
1 mol 21 unq 0 iso 0 dist 8.038 10.7452 6.08338 12.2721 6.93185 10.6971 13.0136 9.35562 14.0241 3.76294 numMergedOcc 0
2 mol 21 unq 1 iso 0 dist 8.038 10.7452 6.08338 12.2721 6.93185 10.6971 9.88732 8.63857 4.20001 12.9404 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 5.45575 8.14829 6.23899 13.4649 9.43355 11.1914 11.6399 8.67634 4.53828 13.144 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 5.45575 8.14829 6.23899 5.15625 7.9327 6.435 11.6399 8.67634 4.53828 9.37875 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 8.25207 14.4683 7.92688 11.4461 6.51868 5.92062 10.5534 9.10003 14.8533 10.0161 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 8.25207 14.4683 7.92688 15.3902 7.34698 6.61891 10.5534 9.10003 14.8533 11.7838 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 8.33489 15.8885 8.94837 5.45341 6.93279 14.2198 4.56331 5.52149 11.5407 6.06606 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 8.33489 10.3334 7.77454 5.45341 6.93279 11.147 4.56331 5.52149 5.91192 6.06606 numMergedOcc 0
9 mol 173 unq 0 iso 0 dist 9.25763 15.2665 7.93331 15.3501 8.41245 6.14414 10.1842 8.62366 12.4131 16.0084 numMergedOcc 0
10 mol 173 unq 1 iso 0 dist 9.25763 15.2665 7.93331 15.3501 8.41245 6.14414 12.4786 9.44973 8.85462 13.8465 numMergedOcc 0
11 mol 173 unq 2 iso 0 dist 9.25763 15.2665 7.93331 15.3501 8.41245 6.14414 13.8624 6.52508 6.91529 11.2063 numMergedOcc 0
12 mol 173 unq 3 iso 0 dist 9.25763 15.2665 7.93331 15.5823 6.64779 4.72839 10.1842 8.62366 12.4131 11.3761 numMergedOcc 0
13 mol 173 unq 4 iso 0 dist 9.25763 15.2665 7.93331 15.5823 6.64779 4.72839 12.4786 9.44973 8.85462 9.90783 numMergedOcc 0
14 mol 173 unq 5 iso 0 dist 9.25763 15.2665 7.93331 15.5823 6.64779 4.72839 13.8624 6.52508 6.91529 4.60149 numMergedOcc 0
15 mol 173 unq 6 iso 0 dist 9.25763 12.006 6.98095 15.3501 8.41245 5.27321 10.1842 8.62366 12.5815 16.0084 numMergedOcc 0
16 mol 173 unq 7 iso 0 dist 9.25763 12.006 6.98095 15.3501 8.41245 5.27321 12.4786 9.44973 9.65654 13.8465 numMergedOcc 0
17 mol 173 unq 8 iso 0 dist 9.25763 12.006 6.98095 15.3501 8.41245 5.27321 13.8624 6.52508 9.44845 11.2063 numMergedOcc 0
18 mol 173 unq 9 iso 0 dist 9.25763 12.006 6.98095 15.5823 6.64779 8.07089 10.1842 8.62366 12.5815 11.3761 numMergedOcc 0
19 mol 173 unq 10 iso 0 dist 9.25763 12.006 6.98095 15.5823 6.64779 8.07089 12.4786 9.44973 9.65654 9.90783 numMergedOcc 0
20 mol 173 unq 11 iso 0 dist 9.25763 12.006 6.98095 15.5823 6.64779 8.07089 13.8624 6.52508 9.44845 4.60149 numMergedOcc 0
21 mol 173 unq 12 iso 0 dist 9.25763 14.7376 8.31897 15.3501 8.41245 10.8609 10.1842 8.62366 8.63452 16.0084 numMergedOcc 0
22 mol 173 unq 13 iso 0 dist 9.25763 14.7376 8.31897 15.3501 8.41245 10.8609 12.4786 9.44973 4.83786 13.8465 numMergedOcc 0
23 mol 173 unq 14 iso 0 dist 9.25763 14.7376 8.31897 15.3501 8.41245 10.8609 13.8624 6.52508 3.74688 11.2063 numMergedOcc 0
24 mol 173 unq 15 iso 0 dist 9.25763 14.7376 8.31897 15.5823 6.64779 5.70743 10.1842 8.62366 8.63452 11.3761 numMergedOcc 0
25 mol 173 unq 16 iso 0 dist 9.25763 14.7376 8.31897 15.5823 6.64779 5.70743 12.4786 9.44973 4.83786 9.90783 numMergedOcc 0
26 mol 173 unq 17 iso 0 dist 9.25763 14.7376 8.31897 15.5823 6.64779 5.70743 13.8624 6.52508 3.74688 4.60149 numMergedOcc 0
27 mol 173 unq 18 iso 0 dist 9.63102 14.1226 7.93331 15.9805 8.41245 6.14414 7.24163 8.62366 12.4131 16.0084 numMergedOcc 0
28 mol 173 unq 19 iso 0 dist 9.63102 14.1226 7.93331 15.9805 8.41245 6.14414 8.98989 9.44973 8.85462 13.8465 numMergedOcc 0
29 mol 173 unq 20 iso 0 dist 9.63102 14.1226 7.93331 15.9805 8.41245 6.14414 12.0865 6.52508 6.91529 11.2063 numMergedOcc 0
30 mol 173 unq 21 iso 0 dist 9.63102 14.1226 7.93331 14.7982 6.64779 4.72839 7.24163 8.62366 12.4131 11.3761 numMergedOcc 0
31 mol 173 unq 22 iso 0 dist 9.63102 14.1226 7.93331 14.7982 6.64779 4.72839 8.98989 9.44973 8.85462 9.90783 numMergedOcc 0
32 mol 173 unq 23 iso 0 dist 9.63102 14.1226 7.93331 14.7982 6.64779 4.72839 12.0865 6.52508 6.91529 4.60149 numMergedOcc 0
33 mol 173 unq 24 iso 0 dist 9.63102 11.6705 6.98095 15.9805 8.41245 5.27321 7.24163 8.62366 12.5815 16.0084 numMergedOcc 0
34 mol 173 unq 25 iso 0 dist 9.63102 11.6705 6.98095 15.9805 8.41245 5.27321 8.98989 9.44973 9.65654 13.8465 numMergedOcc 0
35 mol 173 unq 26 iso 0 dist 9.63102 11.6705 6.98095 15.9805 8.41245 5.27321 12.0865 6.52508 9.44845 11.2063 numMergedOcc 0
36 mol 173 unq 27 iso 0 dist 9.63102 11.6705 6.98095 14.7982 6.64779 8.07089 7.24163 8.62366 12.5815 11.3761 numMergedOcc 0
37 mol 173 unq 28 iso 0 dist 9.63102 11.6705 6.98095 14.7982 6.64779 8.07089 8.98989 9.44973 9.65654 9.90783 numMergedOcc 0
38 mol 173 unq 29 iso 0 dist 9.63102 11.6705 6.98095 14.7982 6.64779 8.07089 12.0865 6.52508 9.44845 4.60149 numMergedOcc 0
39 mol 173 unq 30 iso 0 dist 9.63102 12.3698 8.31897 15.9805 8.41245 10.8609 7.24163 8.62366 8.63452 16.0084 numMergedOcc 0
40 mol 173 unq 31 iso 0 dist 9.63102 12.3698 8.31897 15.9805 8.41245 10.8609 8.98989 9.44973 4.83786 13.8465 numMergedOcc 0
41 mol 173 unq 32 iso 0 dist 9.63102 12.3698 8.31897 15.9805 8.41245 10.8609 12.0865 6.52508 3.74688 11.2063 numMergedOcc 0
42 mol 173 unq 33 iso 0 dist 9.63102 12.3698 8.31897 14.7982 6.64779 5.70743 7.24163 8.62366 8.63452 11.3761 numMergedOcc 0
43 mol 173 unq 34 iso 0 dist 9.63102 12.3698 8.31897 14.7982 6.64779 5.70743 8.98989 9.44973 4.83786 9.90783 numMergedOcc 0
44 mol 173 unq 35 iso 0 dist 9.63102 12.3698 8.31897 14.7982 6.64779 5.70743 12.0865 6.52508 3.74688 4.60149 numMergedOcc 0
45 mol 227 unq 0 iso 0 dist 8.34104 14.9329 8.17891 5.75236 7.57454 10.9607 15.7465 7.79951 4.1511 12.8337 numMergedOcc 0
46 mol 227 unq 1 iso 0 dist 8.34104 13.2783 6.95902 5.75236 7.57454 9.72615 15.7465 7.79951 4.69247 12.8337 numMergedOcc 0
47 mol 235 unq 0 iso 0 dist 8.60471 5.47633 9.58736 13.3219 7.31773 15.6327 13.3458 7.02029 13.7306 5.4263 numMergedOcc 0
48 mol 235 unq 1 iso 0 dist 8.60471 10.2835 9.43058 13.3219 7.31773 10.632 13.3458 7.02029 7.31605 5.4263 numMergedOcc 0
49 mol 235 unq 2 iso 0 dist 8.60471 12.4425 8.75735 13.3219 7.31773 6.01041 13.3458 7.02029 4.12497 5.4263 numMergedOcc 0
50 mol 235 unq 3 iso 0 dist 8.60471 15.2767 6.98084 13.3219 7.31773 6.82855 13.3458 7.02029 8.26028 5.4263 numMergedOcc 0
51 mol 235 unq 4 iso 0 dist 8.60471 11.9322 7.32211 13.3219 7.31773 6.46722 13.3458 7.02029 10.7187 5.4263 numMergedOcc 0
52 mol 238 unq 0 iso 0 dist 8.61709 5.79022 6.05141 9.54895 8.09718 10.7081 10.5939 8.69525 5.27215 15.3328 numMergedOcc 0
53 mol 238 unq 1 iso 0 dist 8.61709 5.79022 6.05141 6.1864 6.73446 5.50308 10.5939 8.69525 5.27215 10.3346 numMergedOcc 0
54 mol 238 unq 2 iso 0 dist 8.61709 10.8459 8.09066 9.54895 8.09718 12.2874 10.5939 8.69525 6.13368 15.3328 numMergedOcc 0
55 mol 238 unq 3 iso 0 dist 8.61709 10.8459 8.09066 6.1864 6.73446 7.11984 10.5939 8.69525 6.13368 10.3346 numMergedOcc 0
56 mol 238 unq 4 iso 0 dist 8.61709 13.1103 7.2766 9.54895 8.09718 10.4017 10.5939 8.69525 10.0605 15.3328 numMergedOcc 0
57 mol 238 unq 5 iso 0 dist 8.61709 13.1103 7.2766 6.1864 6.73446 7.95232 10.5939 8.69525 10.0605 10.3346 numMergedOcc 0
58 mol 274 unq 0 iso 0 dist 8.33004 15.5637 9.19234 12.3614 9.20749 5.64601 8.07655 6.66172 8.87855 5.39432 numMergedOcc 0
59 mol 274 unq 1 iso 0 dist 5.42845 13.002 9.19234 10.6481 9.20749 5.64601 5.9397 6.66172 8.87855 5.39432 numMergedOcc 0
60 mol 274 unq 2 iso 0 dist 5.62484 10.2307 9.19234 7.09841 9.20749 5.64601 4.89003 6.66172 8.87855 5.39432 numMergedOcc 0
61 mol 282 unq 0 iso 0 dist 5.2527 4.85461 6.85028 8.03458 6.8972 7.80785 6.51505 7.52924 4.57104 4.10152 numMergedOcc 0
62 mol 282 unq 1 iso 0 dist 5.2527 8.85797 7.32347 8.03458 6.8972 6.6348 6.51505 7.52924 5.29852 4.10152 numMergedOcc 0
63 mol 282 unq 2 iso 0 dist 5.2527 5.43514 8.3411 8.03458 6.8972 6.3458 6.51505 7.52924 5.80572 4.10152 numMergedOcc 0
