0 mol 0 unq 0 iso 0 dist 9.94248 16.5727 9.23213 12.4801 8.34244 5.24778 numMergedOcc 0
1 mol 21 unq 0 iso 0 dist 8.038 10.7452 6.08338 12.2721 6.93185 10.6971 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 8.28439 7.14422 7.33969 6.89518 6.24515 7.401 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 6.94727 5.2876 6.99408 7.0262 7.21995 8.26635 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 6.94727 5.2876 6.99408 11.6776 9.62637 13.4503 numMergedOcc 0
5 mol 45 unq 2 iso 0 dist 6.94727 5.28153 9.3403 7.0262 7.21995 5.05051 numMergedOcc 0
6 mol 45 unq 3 iso 0 dist 6.94727 5.28153 9.3403 11.6776 9.62637 10.6148 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 5.45575 8.14829 6.23899 13.4649 9.43355 11.1914 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 5.45575 8.14829 6.23899 5.15625 7.9327 6.435 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 6.4154 10.4716 8.70133 11.5412 7.10439 5.11416 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 6.4154 8.04817 5.64598 11.5412 7.10439 8.44406 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 6.4154 5.2774 4.65521 11.5412 7.10439 6.56633 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.25207 14.4683 7.92688 11.4461 6.51868 5.92062 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 8.25207 14.4683 7.92688 15.3902 7.34698 6.61891 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.33489 15.8885 8.94837 5.45341 6.93279 14.2198 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 8.33489 10.3334 7.77454 5.45341 6.93279 11.147 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 5.64806 6.68061 7.16254 12.2591 9.0529 10.4923 numMergedOcc 0
17 mol 155 unq 1 iso 0 dist 5.64806 11.0287 9.14392 12.2591 9.0529 6.89781 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 8.47477 6.39035 6.27641 8.70841 5.81122 5.4555 numMergedOcc 0
19 mol 156 unq 1 iso 0 dist 8.57453 9.27577 6.27641 11.3928 5.81122 5.4555 numMergedOcc 0
20 mol 173 unq 0 iso 0 dist 9.25763 15.2665 7.93331 15.3501 8.41245 6.14414 numMergedOcc 0
21 mol 173 unq 1 iso 0 dist 9.25763 15.2665 7.93331 15.5823 6.64779 4.72839 numMergedOcc 0
22 mol 173 unq 2 iso 0 dist 9.25763 12.006 6.98095 15.3501 8.41245 5.27321 numMergedOcc 0
23 mol 173 unq 3 iso 0 dist 9.25763 12.006 6.98095 15.5823 6.64779 8.07089 numMergedOcc 0
24 mol 173 unq 4 iso 0 dist 9.25763 14.7376 8.31897 15.3501 8.41245 10.8609 numMergedOcc 0
25 mol 173 unq 5 iso 0 dist 9.25763 14.7376 8.31897 15.5823 6.64779 5.70743 numMergedOcc 0
26 mol 173 unq 6 iso 0 dist 9.63102 14.1226 7.93331 15.9805 8.41245 6.14414 numMergedOcc 0
27 mol 173 unq 7 iso 0 dist 9.63102 14.1226 7.93331 14.7982 6.64779 4.72839 numMergedOcc 0
28 mol 173 unq 8 iso 0 dist 9.63102 11.6705 6.98095 15.9805 8.41245 5.27321 numMergedOcc 0
29 mol 173 unq 9 iso 0 dist 9.63102 11.6705 6.98095 14.7982 6.64779 8.07089 numMergedOcc 0
30 mol 173 unq 10 iso 0 dist 9.63102 12.3698 8.31897 15.9805 8.41245 10.8609 numMergedOcc 0
31 mol 173 unq 11 iso 0 dist 9.63102 12.3698 8.31897 14.7982 6.64779 5.70743 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 8.34104 14.9329 8.17891 5.75236 7.57454 10.9607 numMergedOcc 0
33 mol 227 unq 1 iso 0 dist 8.34104 13.2783 6.95902 5.75236 7.57454 9.72615 numMergedOcc 0
34 mol 227 unq 2 iso 0 dist 9.69775 5.0258 7.22914 4.98219 9.52615 6.00069 numMergedOcc 0
35 mol 235 unq 0 iso 0 dist 7.29546 5.19684 5.65339 11.1737 6.54825 7.77516 numMergedOcc 0
36 mol 235 unq 1 iso 0 dist 8.60471 5.47633 9.58736 13.3219 7.31773 15.6327 numMergedOcc 0
37 mol 235 unq 2 iso 0 dist 8.60471 10.2835 9.43058 13.3219 7.31773 10.632 numMergedOcc 0
38 mol 235 unq 3 iso 0 dist 8.60471 12.4425 8.75735 13.3219 7.31773 6.01041 numMergedOcc 0
39 mol 235 unq 4 iso 0 dist 8.60471 15.2767 6.98084 13.3219 7.31773 6.82855 numMergedOcc 0
40 mol 235 unq 5 iso 0 dist 8.60471 11.9322 7.32211 13.3219 7.31773 6.46722 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 8.61709 5.79022 6.05141 9.54895 8.09718 10.7081 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 8.61709 5.79022 6.05141 6.1864 6.73446 5.50308 numMergedOcc 0
43 mol 238 unq 2 iso 0 dist 8.61709 10.8459 8.09066 9.54895 8.09718 12.2874 numMergedOcc 0
44 mol 238 unq 3 iso 0 dist 8.61709 10.8459 8.09066 6.1864 6.73446 7.11984 numMergedOcc 0
45 mol 238 unq 4 iso 0 dist 8.61709 13.1103 7.2766 9.54895 8.09718 10.4017 numMergedOcc 0
46 mol 238 unq 5 iso 0 dist 8.61709 13.1103 7.2766 6.1864 6.73446 7.95232 numMergedOcc 0
47 mol 264 unq 0 iso 0 dist 9.67417 10.0289 9.0012 6.28052 5.91213 7.52936 numMergedOcc 0
48 mol 274 unq 0 iso 0 dist 8.33004 15.5637 9.19234 12.3614 9.20749 5.64601 numMergedOcc 0
49 mol 274 unq 1 iso 0 dist 5.42845 13.002 9.19234 10.6481 9.20749 5.64601 numMergedOcc 0
50 mol 274 unq 2 iso 0 dist 5.62484 10.2307 9.19234 7.09841 9.20749 5.64601 numMergedOcc 0
51 mol 282 unq 0 iso 0 dist 5.2527 4.85461 6.85028 8.03458 6.8972 7.80785 numMergedOcc 0
52 mol 282 unq 1 iso 0 dist 5.2527 8.85797 7.32347 8.03458 6.8972 6.6348 numMergedOcc 0
53 mol 282 unq 2 iso 0 dist 5.2527 5.43514 8.3411 8.03458 6.8972 6.3458 numMergedOcc 0
54 mol 294 unq 0 iso 0 dist 7.82457 15.0262 7.34205 10.9273 8.87606 10.808 numMergedOcc 0
