0 mol 8 unq 0 iso 0 dist 8.96553 9.62879 8.4069 7.43529 7.3915 10.6335 10.9634 12.4076 10.9495 6.82379 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.96553 9.62879 8.4069 7.43529 7.3915 10.6335 12.9396 9.22548 11.4134 6.24978 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 8.96553 9.62879 8.4069 7.43529 7.3915 10.6335 14.7769 7.96511 10.4705 9.66439 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 7.63133 6.31718 10.8455 10.454 6.56335 15.6697 13.084 5.5251 16.0735 7.2668 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 4.54938 8.4674 7.67038 5.18512 6.92532 10.1882 9.78944 10.8007 7.83352 7.48847 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 4.54938 8.4674 7.67038 5.18512 6.92532 10.1882 7.82074 5.03957 10.3915 6.36455 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 4.54938 7.82074 5.03957 5.18512 6.92532 6.36455 9.78944 10.8007 10.6598 7.48847 numMergedOcc 0
7 mol 19 unq 3 iso 0 dist 7.82074 8.4674 10.3915 5.18512 6.36455 10.1882 9.78944 10.6598 7.83352 7.48847 numMergedOcc 0
8 mol 19 unq 4 iso 0 dist 7.82074 8.4674 10.3915 5.18512 6.36455 10.1882 4.54938 5.03957 7.67038 6.92532 numMergedOcc 0
9 mol 19 unq 5 iso 0 dist 7.82074 4.54938 5.03957 5.18512 6.36455 6.92532 9.78944 10.6598 10.8007 7.48847 numMergedOcc 0
10 mol 19 unq 6 iso 0 dist 6.864 4.51865 7.67038 9.47529 6.92532 10.1882 9.56313 10.8007 7.83352 7.48847 numMergedOcc 0
11 mol 19 unq 7 iso 0 dist 6.864 4.51865 7.67038 9.47529 6.92532 10.1882 11.0366 5.03957 10.3915 6.36455 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 5.97304 6.60423 9.0934 10.5273 7.05502 5.79707 7.83786 numMergedOcc 0
13 mol 60 unq 0 iso 0 dist 8.90863 6.65595 6.54743 13.0114 8.82176 10.0962 16.4714 12.2509 10.1562 9.96399 numMergedOcc 0
14 mol 60 unq 1 iso 0 dist 8.90863 6.65595 6.54743 13.0114 8.82176 10.0962 11.1899 5.00018 5.67502 7.55695 numMergedOcc 0
15 mol 60 unq 2 iso 0 dist 8.33063 6.43294 10.1562 9.62257 9.96399 10.0962 8.7531 7.29309 5.67502 7.55695 numMergedOcc 0
16 mol 60 unq 3 iso 0 dist 8.33063 6.43294 10.1562 9.62257 9.96399 10.0962 11.5843 12.2509 6.54743 8.82176 numMergedOcc 0
17 mol 60 unq 4 iso 0 dist 8.33063 8.7531 7.29309 9.62257 9.96399 7.55695 11.5843 12.2509 5.00018 8.82176 numMergedOcc 0
18 mol 60 unq 5 iso 0 dist 8.7531 8.33063 7.29309 9.62257 7.55695 9.96399 11.5843 5.00018 12.2509 8.82176 numMergedOcc 0
19 mol 60 unq 6 iso 0 dist 8.7531 6.43294 5.67502 9.62257 7.55695 10.0962 8.33063 7.29309 10.1562 9.96399 numMergedOcc 0
20 mol 60 unq 7 iso 0 dist 8.7531 6.43294 5.67502 9.62257 7.55695 10.0962 11.5843 5.00018 6.54743 8.82176 numMergedOcc 0
21 mol 73 unq 0 iso 0 dist 9.96396 8.70481 14.9342 8.26458 7.04044 10.3244 6.19304 5.4148 13.3558 8.73253 numMergedOcc 0
22 mol 73 unq 1 iso 0 dist 6.19304 8.70481 13.3558 8.26458 8.73253 10.3244 9.96396 5.4148 14.9342 7.04044 numMergedOcc 0
23 mol 73 unq 2 iso 0 dist 8.70481 9.96396 14.9342 14.8866 8.85586 16.8706 16.0098 8.07446 18.8875 5.16364 numMergedOcc 0
24 mol 73 unq 3 iso 0 dist 8.70481 6.19304 13.3558 14.8866 8.85586 18.0011 16.0098 8.07446 19.3309 5.16364 numMergedOcc 0
25 mol 85 unq 0 iso 0 dist 7.97049 7.47541 6.9948 6.37974 7.1589 11.2808 11.3023 4.26409 10.7229 8.00777 numMergedOcc 0
26 mol 85 unq 1 iso 0 dist 7.95579 7.66905 10.7229 5.08358 8.00777 11.2808 6.19965 4.26409 6.9948 7.1589 numMergedOcc 0
27 mol 85 unq 2 iso 0 dist 6.19965 7.66905 6.9948 5.08358 7.1589 11.2808 7.95579 4.26409 10.7229 8.00777 numMergedOcc 0
28 mol 112 unq 0 iso 0 dist 9.60462 7.45389 7.05226 17.3924 9.92283 14.242 13.9874 5.0812 11.6458 6.43433 numMergedOcc 0
29 mol 112 unq 1 iso 0 dist 9.60462 7.45389 7.05226 3.98564 7.23962 7.30204 11.192 7.03147 5.56241 9.00067 numMergedOcc 0
30 mol 112 unq 2 iso 0 dist 9.60462 7.45389 7.05226 3.98564 7.23962 7.30204 10.9806 11.4954 6.77737 9.89499 numMergedOcc 0
31 mol 112 unq 3 iso 0 dist 7.45389 9.60462 7.05226 3.98564 7.30204 7.23962 11.192 5.56241 7.03147 9.00067 numMergedOcc 0
32 mol 112 unq 4 iso 0 dist 7.45389 9.60462 7.05226 3.98564 7.30204 7.23962 10.9806 6.77737 11.4954 9.89499 numMergedOcc 0
33 mol 131 unq 0 iso 0 dist 8.40312 6.85062 10.7062 5.89022 8.86329 11.6142 7.12972 5.55373 6.63273 8.71039 numMergedOcc 0
34 mol 131 unq 1 iso 0 dist 7.12972 8.40312 5.55373 9.32969 6.92648 11.4206 14.2958 7.58238 9.85697 9.15431 numMergedOcc 0
35 mol 131 unq 2 iso 0 dist 7.12972 8.40312 5.55373 9.32969 6.92648 11.4206 6.85062 6.63273 10.7062 9.29384 numMergedOcc 0
36 mol 131 unq 3 iso 0 dist 7.12972 6.85062 6.63273 5.89022 8.71039 11.6142 8.40312 5.55373 10.7062 8.86329 numMergedOcc 0
37 mol 131 unq 4 iso 0 dist 7.12972 6.85062 6.63273 9.32969 6.92648 9.29384 14.2958 7.58238 13.2572 9.15431 numMergedOcc 0
38 mol 131 unq 5 iso 0 dist 6.85062 8.40312 10.7062 9.32969 9.29384 11.4206 14.2958 13.2572 9.85697 9.15431 numMergedOcc 0
39 mol 131 unq 6 iso 0 dist 6.85062 8.40312 10.7062 9.32969 9.29384 11.4206 7.12972 6.63273 5.55373 6.92648 numMergedOcc 0
40 mol 131 unq 7 iso 0 dist 6.85062 7.12972 6.63273 9.32969 9.29384 6.92648 14.2958 13.2572 7.58238 9.15431 numMergedOcc 0
41 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 9.4027 8.20836 10.873 11.7385 5.62899 10.7144 7.36779 numMergedOcc 0
42 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 9.4027 8.20836 13.846 11.7385 5.62899 12.8168 7.36779 numMergedOcc 0
43 mol 134 unq 2 iso 0 dist 9.86662 9.71307 5.49782 5.12325 8.20836 10.873 11.3835 5.62899 10.7144 7.36779 numMergedOcc 0
44 mol 152 unq 0 iso 0 dist 5.87555 8.87437 5.49936 5.70788 8.28642 13.1536 10.399 7.65448 10.6875 9.77552 numMergedOcc 0
45 mol 152 unq 1 iso 0 dist 8.56324 7.16148 10.6875 9.35627 9.77552 13.1536 6.70283 7.65448 5.49936 8.28642 numMergedOcc 0
46 mol 152 unq 2 iso 0 dist 6.70283 7.16148 5.49936 9.35627 8.28642 13.1536 8.56324 7.65448 10.6875 9.77552 numMergedOcc 0
47 mol 152 unq 3 iso 0 dist 8.67331 8.05741 5.49936 11.2078 8.28642 13.1536 14.1618 7.65448 10.6875 9.77552 numMergedOcc 0
48 mol 156 unq 0 iso 0 dist 8.34702 9.06726 6.31306 5.82636 6.2319 9.97732 13.584 7.14831 9.98789 9.31851 numMergedOcc 0
49 mol 156 unq 1 iso 0 dist 8.34702 8.33171 6.56229 5.82636 6.2319 10.5243 13.584 7.14831 13.0839 9.31851 numMergedOcc 0
50 mol 156 unq 2 iso 0 dist 8.34702 8.33171 6.56229 5.82636 6.2319 10.5243 9.06726 6.31306 5.64555 9.97732 numMergedOcc 0
51 mol 156 unq 3 iso 0 dist 9.06726 8.34702 6.31306 5.82636 9.97732 6.2319 13.584 9.98789 7.14831 9.31851 numMergedOcc 0
52 mol 156 unq 4 iso 0 dist 9.06726 8.33171 5.64555 5.82636 9.97732 10.5243 13.584 9.98789 13.0839 9.31851 numMergedOcc 0
53 mol 156 unq 5 iso 0 dist 9.06726 8.33171 5.64555 5.82636 9.97732 10.5243 8.34702 6.31306 6.56229 6.2319 numMergedOcc 0
54 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 13.8722 6.51749 15.2991 15.0228 10.1912 12.8522 7.20392 numMergedOcc 0
55 mol 186 unq 0 iso 0 dist 7.54065 9.70748 13.8792 8.90184 7.20574 18.0414 8.87694 5.74635 14.9058 6.85302 numMergedOcc 0
56 mol 186 unq 1 iso 0 dist 8.87694 9.70748 14.9058 8.90184 6.85302 18.0414 7.54065 5.74635 13.8792 7.20574 numMergedOcc 0
57 mol 186 unq 2 iso 0 dist 9.09754 8.87694 9.50685 9.97575 8.64409 15.9107 15.6447 8.04815 16.4637 9.56197 numMergedOcc 0
58 mol 186 unq 3 iso 0 dist 9.09754 8.87694 9.50685 9.97575 8.64409 15.9107 16.9992 13.684 21.886 7.24795 numMergedOcc 0
59 mol 186 unq 4 iso 0 dist 9.09754 8.87694 9.50685 9.97575 8.64409 15.9107 14.1487 7.18269 16.6762 7.60202 numMergedOcc 0
60 mol 205 unq 0 iso 0 dist 6.03031 7.80463 8.18714 5.28092 8.44861 11.3521 7.26832 7.38516 13.8543 5.60393 numMergedOcc 0
61 mol 205 unq 1 iso 0 dist 7.26832 7.80463 13.8543 5.28092 5.60393 11.3521 6.03031 7.38516 8.18714 8.44861 numMergedOcc 0
62 mol 222 unq 0 iso 0 dist 6.00706 7.54212 6.8425 6.42798 7.862 12.5287 12.6531 10.5806 17.2569 9.2581 numMergedOcc 0
63 mol 222 unq 1 iso 0 dist 6.00706 7.54212 6.8425 6.42798 7.862 12.5287 11.8674 6.9154 12.6553 9.62632 numMergedOcc 0
64 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 11.0628 8.38865 12.9778 8.65997 5.22356 7.60506 5.4694 numMergedOcc 0
65 mol 227 unq 1 iso 0 dist 7.22101 7.56888 10.8658 11.0628 8.38865 13.9676 8.65997 5.22356 9.70012 5.4694 numMergedOcc 0
66 mol 227 unq 2 iso 0 dist 7.22101 7.55216 12.4689 11.0628 8.38865 16.9219 8.65997 5.22356 12.9332 5.4694 numMergedOcc 0
67 mol 227 unq 3 iso 0 dist 8.65997 9.34734 7.60506 11.0628 5.4694 12.9778 7.22101 5.22356 6.99063 8.38865 numMergedOcc 0
68 mol 227 unq 4 iso 0 dist 8.65997 7.56888 9.70012 11.0628 5.4694 13.9676 7.22101 5.22356 10.8658 8.38865 numMergedOcc 0
69 mol 227 unq 5 iso 0 dist 8.65997 7.55216 12.9332 11.0628 5.4694 16.9219 7.22101 5.22356 12.4689 8.38865 numMergedOcc 0
70 mol 229 unq 0 iso 0 dist 7.03423 9.06952 6.84129 9.62106 8.92743 9.45972 12.3823 6.94172 6.78838 8.08082 numMergedOcc 0
71 mol 229 unq 1 iso 0 dist 7.03423 9.06952 6.84129 9.62106 8.92743 9.45972 11.4362 7.0298 10.2557 5.77318 numMergedOcc 0
72 mol 229 unq 2 iso 0 dist 7.03423 9.06952 6.84129 9.62106 8.92743 9.45972 17.78 15.7694 15.0317 8.19603 numMergedOcc 0
73 mol 234 unq 0 iso 0 dist 6.56247 9.45496 5.88703 5.63086 8.24186 7.5366 9.45579 8.59858 9.82284 7.56091 numMergedOcc 0
74 mol 234 unq 1 iso 0 dist 9.36357 6.7625 5.88703 5.6819 8.24186 7.5366 12.4862 8.59858 9.82284 7.56091 numMergedOcc 0
75 mol 234 unq 2 iso 0 dist 9.45496 6.56247 5.88703 5.63086 7.5366 8.24186 9.45579 9.82284 8.59858 7.56091 numMergedOcc 0
76 mol 234 unq 3 iso 0 dist 6.7625 9.36357 5.88703 5.6819 7.5366 8.24186 12.4862 9.82284 8.59858 7.56091 numMergedOcc 0
77 mol 248 unq 0 iso 0 dist 7.69895 8.2965 10.8081 5.99459 6.17052 13.0539 7.21521 5.55137 5.86196 9.77666 numMergedOcc 0
78 mol 248 unq 1 iso 0 dist 7.21521 8.2965 5.86196 5.99459 9.77666 13.0539 7.69895 5.55137 10.8081 6.17052 numMergedOcc 0
79 mol 252 unq 0 iso 0 dist 8.1148 8.33025 6.0987 5.89666 8.47784 12.0482 14.2744 13.2361 18.3074 8.66469 numMergedOcc 0
80 mol 252 unq 1 iso 0 dist 8.1715 9.2288 6.0987 10.672 8.47784 12.0482 17.8419 13.2361 18.3074 8.66469 numMergedOcc 0
81 mol 258 unq 0 iso 0 dist 6.42289 6.60405 7.26417 6.44209 7.86627 11.184 10.1675 5.30627 12.3211 7.93574 numMergedOcc 0
82 mol 259 unq 0 iso 0 dist 7.46176 7.88519 6.96053 5.60748 8.55558 10.5803 12.0576 9.98105 15.8535 8.59697 numMergedOcc 0
83 mol 259 unq 1 iso 0 dist 7.46176 7.84554 7.64658 5.60748 8.55558 12.4037 12.0576 9.98105 16.9228 8.59697 numMergedOcc 0
84 mol 259 unq 2 iso 0 dist 7.46176 9.18903 10.5239 5.60748 8.55558 14.4498 12.0576 9.98105 17.9439 8.59697 numMergedOcc 0
85 mol 272 unq 0 iso 0 dist 9.97651 8.46116 8.12676 4.86504 9.64269 8.46061 10.1698 6.6954 7.34222 6.88809 numMergedOcc 0
86 mol 272 unq 1 iso 0 dist 8.46116 9.97651 8.12676 4.86504 8.46061 9.64269 10.1698 7.34222 6.6954 6.88809 numMergedOcc 0
