0 mol 8 unq 0 iso 0 dist 8.96553 7.3915 7.43529 12.4076 10.9634 6.82379 9.22548 12.9396 6.24978 6.94408 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 8.96553 7.3915 7.43529 9.22548 12.9396 6.24978 12.4076 10.9634 6.82379 6.94408 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 8.96553 7.3915 7.43529 12.4076 10.9634 6.82379 7.96511 14.7769 9.66439 11.2508 numMergedOcc 0
3 mol 8 unq 1 iso 1 dist 8.96553 7.3915 7.43529 7.96511 14.7769 9.66439 12.4076 10.9634 6.82379 11.2508 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 8.96553 7.3915 7.43529 9.22548 12.9396 6.24978 7.96511 14.7769 9.66439 5.3787 numMergedOcc 0
5 mol 8 unq 1 iso 1 dist 8.96553 7.3915 7.43529 7.96511 14.7769 9.66439 9.22548 12.9396 6.24978 5.3787 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 7.20519 6.92532 12.3486 10.8007 15.679 7.48847 5.03957 12.1187 6.36455 10.6598 numMergedOcc 0
7 mol 19 unq 0 iso 1 dist 7.20519 6.92532 12.3486 5.03957 12.1187 6.36455 10.8007 15.679 7.48847 10.6598 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 4.54938 6.92532 5.18512 10.8007 9.78944 7.48847 5.03957 7.82074 6.36455 10.6598 numMergedOcc 0
9 mol 19 unq 1 iso 1 dist 4.54938 6.92532 5.18512 5.03957 7.82074 6.36455 10.8007 9.78944 7.48847 10.6598 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 7.82074 6.36455 5.18512 10.6598 9.78944 7.48847 5.03957 4.54938 6.92532 10.8007 numMergedOcc 0
11 mol 19 unq 2 iso 1 dist 7.82074 6.36455 5.18512 5.03957 4.54938 6.92532 10.6598 9.78944 7.48847 10.8007 numMergedOcc 0
12 mol 19 unq 3 iso 0 dist 6.864 6.92532 9.47529 10.8007 9.56313 7.48847 5.03957 11.0366 6.36455 10.6598 numMergedOcc 0
13 mol 19 unq 3 iso 1 dist 6.864 6.92532 9.47529 5.03957 11.0366 6.36455 10.8007 9.56313 7.48847 10.6598 numMergedOcc 0
14 mol 60 unq 0 iso 0 dist 8.90863 8.82176 13.0114 12.2509 16.4714 9.96399 5.00018 11.1899 7.55695 7.29309 numMergedOcc 0
15 mol 60 unq 0 iso 1 dist 8.90863 8.82176 13.0114 5.00018 11.1899 7.55695 12.2509 16.4714 9.96399 7.29309 numMergedOcc 0
16 mol 60 unq 1 iso 0 dist 8.33063 9.96399 9.62257 7.29309 8.7531 7.55695 12.2509 11.5843 8.82176 5.00018 numMergedOcc 0
17 mol 60 unq 1 iso 1 dist 8.33063 9.96399 9.62257 12.2509 11.5843 8.82176 7.29309 8.7531 7.55695 5.00018 numMergedOcc 0
18 mol 60 unq 2 iso 0 dist 8.7531 7.55695 9.62257 7.29309 8.33063 9.96399 5.00018 11.5843 8.82176 12.2509 numMergedOcc 0
19 mol 60 unq 2 iso 1 dist 8.7531 7.55695 9.62257 5.00018 11.5843 8.82176 7.29309 8.33063 9.96399 12.2509 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 9.60462 7.23962 3.98564 7.03147 11.192 9.00067 11.4954 10.9806 9.89499 5.54347 numMergedOcc 0
21 mol 112 unq 0 iso 1 dist 9.60462 7.23962 3.98564 11.4954 10.9806 9.89499 7.03147 11.192 9.00067 5.54347 numMergedOcc 0
22 mol 112 unq 1 iso 0 dist 9.60462 7.23962 3.98564 7.03147 11.192 9.00067 7.05226 7.45389 7.30204 5.56241 numMergedOcc 0
23 mol 112 unq 1 iso 1 dist 9.60462 7.23962 3.98564 7.05226 7.45389 7.30204 7.03147 11.192 9.00067 5.56241 numMergedOcc 0
24 mol 112 unq 1 iso 0 dist 9.60462 7.23962 3.98564 11.4954 10.9806 9.89499 7.05226 7.45389 7.30204 6.77737 numMergedOcc 0
25 mol 112 unq 1 iso 1 dist 9.60462 7.23962 3.98564 7.05226 7.45389 7.30204 11.4954 10.9806 9.89499 6.77737 numMergedOcc 0
26 mol 112 unq 2 iso 0 dist 7.45389 7.30204 3.98564 7.05226 9.60462 7.23962 5.56241 11.192 9.00067 7.03147 numMergedOcc 0
27 mol 112 unq 2 iso 1 dist 7.45389 7.30204 3.98564 5.56241 11.192 9.00067 7.05226 9.60462 7.23962 7.03147 numMergedOcc 0
28 mol 112 unq 3 iso 0 dist 7.45389 7.30204 3.98564 7.05226 9.60462 7.23962 6.77737 10.9806 9.89499 11.4954 numMergedOcc 0
29 mol 112 unq 3 iso 1 dist 7.45389 7.30204 3.98564 6.77737 10.9806 9.89499 7.05226 9.60462 7.23962 11.4954 numMergedOcc 0
30 mol 112 unq 3 iso 0 dist 7.45389 7.30204 3.98564 5.56241 11.192 9.00067 6.77737 10.9806 9.89499 5.54347 numMergedOcc 0
31 mol 112 unq 3 iso 1 dist 7.45389 7.30204 3.98564 6.77737 10.9806 9.89499 5.56241 11.192 9.00067 5.54347 numMergedOcc 0
32 mol 131 unq 0 iso 0 dist 7.12972 6.92648 9.32969 7.58238 14.2958 9.15431 6.63273 6.85062 9.29384 13.2572 numMergedOcc 0
33 mol 131 unq 0 iso 1 dist 7.12972 6.92648 9.32969 6.63273 6.85062 9.29384 7.58238 14.2958 9.15431 13.2572 numMergedOcc 0
34 mol 131 unq 1 iso 0 dist 6.85062 9.29384 9.32969 13.2572 14.2958 9.15431 6.63273 7.12972 6.92648 7.58238 numMergedOcc 0
35 mol 131 unq 1 iso 1 dist 6.85062 9.29384 9.32969 6.63273 7.12972 6.92648 13.2572 14.2958 9.15431 7.58238 numMergedOcc 0
36 mol 156 unq 0 iso 0 dist 8.34702 6.2319 5.82636 7.14831 13.584 9.31851 6.31306 9.06726 9.97732 9.98789 numMergedOcc 0
37 mol 156 unq 0 iso 1 dist 8.34702 6.2319 5.82636 6.31306 9.06726 9.97732 7.14831 13.584 9.31851 9.98789 numMergedOcc 0
38 mol 156 unq 1 iso 0 dist 9.06726 9.97732 5.82636 9.98789 13.584 9.31851 6.31306 8.34702 6.2319 7.14831 numMergedOcc 0
39 mol 156 unq 1 iso 1 dist 9.06726 9.97732 5.82636 6.31306 8.34702 6.2319 9.98789 13.584 9.31851 7.14831 numMergedOcc 0
40 mol 186 unq 0 iso 0 dist 9.09754 8.64409 9.97575 8.04815 15.6447 9.56197 13.684 16.9992 7.24795 9.41955 numMergedOcc 0
41 mol 186 unq 0 iso 1 dist 9.09754 8.64409 9.97575 13.684 16.9992 7.24795 8.04815 15.6447 9.56197 9.41955 numMergedOcc 0
42 mol 186 unq 1 iso 0 dist 9.09754 8.64409 9.97575 8.04815 15.6447 9.56197 7.18269 14.1487 7.60202 5.92513 numMergedOcc 0
43 mol 186 unq 1 iso 1 dist 9.09754 8.64409 9.97575 7.18269 14.1487 7.60202 8.04815 15.6447 9.56197 5.92513 numMergedOcc 0
44 mol 186 unq 1 iso 0 dist 9.09754 8.64409 9.97575 13.684 16.9992 7.24795 7.18269 14.1487 7.60202 9.45987 numMergedOcc 0
45 mol 186 unq 1 iso 1 dist 9.09754 8.64409 9.97575 7.18269 14.1487 7.60202 13.684 16.9992 7.24795 9.45987 numMergedOcc 0
46 mol 222 unq 0 iso 0 dist 6.00706 7.862 6.42798 10.5806 12.6531 9.2581 6.9154 11.8674 9.62632 9.57159 numMergedOcc 0
47 mol 222 unq 0 iso 1 dist 6.00706 7.862 6.42798 6.9154 11.8674 9.62632 10.5806 12.6531 9.2581 9.57159 numMergedOcc 0
48 mol 229 unq 0 iso 0 dist 8.22528 8.92743 11.6847 6.94172 14.4239 8.08082 7.0298 11.7165 5.77318 5.5729 numMergedOcc 0
49 mol 229 unq 0 iso 1 dist 8.22528 8.92743 11.6847 7.0298 11.7165 5.77318 6.94172 14.4239 8.08082 5.5729 numMergedOcc 0
50 mol 229 unq 1 iso 0 dist 8.22528 8.92743 11.6847 6.94172 14.4239 8.08082 15.7694 19.5385 8.19603 11.3041 numMergedOcc 0
51 mol 229 unq 1 iso 1 dist 8.22528 8.92743 11.6847 15.7694 19.5385 8.19603 6.94172 14.4239 8.08082 11.3041 numMergedOcc 0
52 mol 229 unq 1 iso 0 dist 8.22528 8.92743 11.6847 7.0298 11.7165 5.77318 15.7694 19.5385 8.19603 9.96077 numMergedOcc 0
53 mol 229 unq 1 iso 1 dist 8.22528 8.92743 11.6847 15.7694 19.5385 8.19603 7.0298 11.7165 5.77318 9.96077 numMergedOcc 0
54 mol 229 unq 2 iso 0 dist 7.03423 8.92743 9.62106 6.94172 12.3823 8.08082 7.0298 11.4362 5.77318 5.5729 numMergedOcc 0
55 mol 229 unq 2 iso 1 dist 7.03423 8.92743 9.62106 7.0298 11.4362 5.77318 6.94172 12.3823 8.08082 5.5729 numMergedOcc 0
56 mol 229 unq 3 iso 0 dist 7.03423 8.92743 9.62106 6.94172 12.3823 8.08082 15.7694 17.78 8.19603 11.3041 numMergedOcc 0
57 mol 229 unq 3 iso 1 dist 7.03423 8.92743 9.62106 15.7694 17.78 8.19603 6.94172 12.3823 8.08082 11.3041 numMergedOcc 0
58 mol 229 unq 3 iso 0 dist 7.03423 8.92743 9.62106 7.0298 11.4362 5.77318 15.7694 17.78 8.19603 9.96077 numMergedOcc 0
59 mol 229 unq 3 iso 1 dist 7.03423 8.92743 9.62106 15.7694 17.78 8.19603 7.0298 11.4362 5.77318 9.96077 numMergedOcc 0
60 mol 229 unq 4 iso 0 dist 9.87838 5.77318 7.7339 7.0298 11.6115 8.92743 5.5729 14.3118 8.08082 6.94172 numMergedOcc 0
61 mol 229 unq 4 iso 1 dist 9.87838 5.77318 7.7339 5.5729 14.3118 8.08082 7.0298 11.6115 8.92743 6.94172 numMergedOcc 0
62 mol 229 unq 5 iso 0 dist 9.87838 5.77318 7.7339 7.0298 11.6115 8.92743 9.96077 13.8823 8.19603 15.7694 numMergedOcc 0
63 mol 229 unq 5 iso 1 dist 9.87838 5.77318 7.7339 9.96077 13.8823 8.19603 7.0298 11.6115 8.92743 15.7694 numMergedOcc 0
64 mol 229 unq 5 iso 0 dist 9.87838 5.77318 7.7339 5.5729 14.3118 8.08082 9.96077 13.8823 8.19603 11.3041 numMergedOcc 0
65 mol 229 unq 5 iso 1 dist 9.87838 5.77318 7.7339 9.96077 13.8823 8.19603 5.5729 14.3118 8.08082 11.3041 numMergedOcc 0
66 mol 234 unq 0 iso 0 dist 8.34494 8.24186 11.7705 8.59858 14.186 7.56091 5.88703 12.9605 7.5366 9.82284 numMergedOcc 0
67 mol 234 unq 0 iso 1 dist 8.34494 8.24186 11.7705 5.88703 12.9605 7.5366 8.59858 14.186 7.56091 9.82284 numMergedOcc 0
68 mol 234 unq 1 iso 0 dist 6.56247 8.24186 5.63086 8.59858 9.45579 7.56091 5.88703 9.45496 7.5366 9.82284 numMergedOcc 0
69 mol 234 unq 1 iso 1 dist 6.56247 8.24186 5.63086 5.88703 9.45496 7.5366 8.59858 9.45579 7.56091 9.82284 numMergedOcc 0
70 mol 234 unq 2 iso 0 dist 9.36357 8.24186 5.6819 8.59858 12.4862 7.56091 5.88703 6.7625 7.5366 9.82284 numMergedOcc 0
71 mol 234 unq 2 iso 1 dist 9.36357 8.24186 5.6819 5.88703 6.7625 7.5366 8.59858 12.4862 7.56091 9.82284 numMergedOcc 0
72 mol 234 unq 3 iso 0 dist 9.45496 7.5366 5.63086 9.82284 9.45579 7.56091 5.88703 6.56247 8.24186 8.59858 numMergedOcc 0
73 mol 234 unq 3 iso 1 dist 9.45496 7.5366 5.63086 5.88703 6.56247 8.24186 9.82284 9.45579 7.56091 8.59858 numMergedOcc 0
74 mol 234 unq 4 iso 0 dist 6.7625 7.5366 5.6819 9.82284 12.4862 7.56091 5.88703 9.36357 8.24186 8.59858 numMergedOcc 0
75 mol 234 unq 4 iso 1 dist 6.7625 7.5366 5.6819 5.88703 9.36357 8.24186 9.82284 12.4862 7.56091 8.59858 numMergedOcc 0
76 mol 238 unq 0 iso 0 dist 5.72887 7.32982 12.3808 10.0191 13.5431 6.66971 10.1648 12.8711 6.4398 5.40359 numMergedOcc 0
77 mol 238 unq 0 iso 1 dist 5.72887 7.32982 12.3808 10.1648 12.8711 6.4398 10.0191 13.5431 6.66971 5.40359 numMergedOcc 0
78 mol 272 unq 0 iso 0 dist 9.97651 9.64269 4.86504 6.6954 10.1698 6.88809 8.12676 8.46116 8.46061 7.34222 numMergedOcc 0
79 mol 272 unq 0 iso 1 dist 9.97651 9.64269 4.86504 8.12676 8.46116 8.46061 6.6954 10.1698 6.88809 7.34222 numMergedOcc 0
80 mol 272 unq 1 iso 0 dist 8.33638 8.46061 8.7909 8.12676 13.2494 9.64269 7.34222 13.168 6.88809 6.6954 numMergedOcc 0
81 mol 272 unq 1 iso 1 dist 8.33638 8.46061 8.7909 7.34222 13.168 6.88809 8.12676 13.2494 9.64269 6.6954 numMergedOcc 0
82 mol 272 unq 2 iso 0 dist 8.46116 8.46061 4.86504 8.12676 9.97651 9.64269 7.34222 10.1698 6.88809 6.6954 numMergedOcc 0
83 mol 272 unq 2 iso 1 dist 8.46116 8.46061 4.86504 7.34222 10.1698 6.88809 8.12676 9.97651 9.64269 6.6954 numMergedOcc 0
