0 mol 0 unq 0 iso 0 dist 9.6994 9.23213 5.08793 5.24778 11.2072 8.34244 6.26831 6.34883 4.04089 6.64713 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.15528 9.23213 10.4498 5.24778 11.2263 8.34244 6.26831 9.19662 4.04089 6.64713 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 5.03847 10.3148 9.97624 11.8684 15.6193 17.4118 8.60435 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 7.10621 9.36807 10.515 13.8829 8.72114 9.97624 22.1274 16.4405 17.4118 8.60435 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.57077 8.47421 5.60154 9.5997 9.62394 9.57198 8.83269 11.0722 6.81435 8.076 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 8.57077 8.47421 5.60154 9.5997 9.62394 9.57198 15.5119 14.814 13.6861 6.32226 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 7.20519 7.82528 10.4988 4.97119 10.741 5.82366 6.92532 12.3486 6.34272 6.39966 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 7.20519 9.80108 5.5841 9.32205 10.3056 8.19695 14.5689 11.3811 8.18566 7.46208 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 8.4674 6.20943 5.14627 4.64838 6.41575 5.82366 10.1882 5.18512 6.34272 6.39966 numMergedOcc 0
9 mol 19 unq 3 iso 0 dist 4.54938 7.82528 5.14627 4.97119 6.41575 5.82366 6.92532 5.18512 6.34272 6.39966 numMergedOcc 0
10 mol 19 unq 4 iso 0 dist 4.51865 6.20943 4.69858 4.64838 6.41423 5.82366 10.1882 9.47529 6.34272 6.39966 numMergedOcc 0
11 mol 19 unq 5 iso 0 dist 4.51865 8.58657 6.74265 13.0631 13.287 8.19695 16.2912 14.9047 8.18566 7.46208 numMergedOcc 0
12 mol 19 unq 6 iso 0 dist 6.864 7.82528 4.69858 4.97119 6.41423 5.82366 6.92532 9.47529 6.34272 6.39966 numMergedOcc 0
13 mol 19 unq 7 iso 0 dist 6.864 8.58657 5.5841 13.0631 10.3056 8.19695 16.2912 11.3811 8.18566 7.46208 numMergedOcc 0
14 mol 45 unq 0 iso 0 dist 7.58835 9.20119 6.89191 10.7082 10.6216 5.55096 13.2858 9.14493 4.52443 8.80014 numMergedOcc 0
15 mol 58 unq 0 iso 0 dist 6.86465 8.63333 6.47744 10.2049 8.80614 9.11258 14.62 10.4524 9.17656 6.62229 numMergedOcc 0
16 mol 58 unq 1 iso 0 dist 6.35756 8.89374 6.47744 5.49591 8.80614 9.11258 10.9864 10.4524 9.17656 6.62229 numMergedOcc 0
17 mol 58 unq 2 iso 0 dist 6.64012 6.46761 5.24906 5.85698 9.86039 9.11258 7.27383 6.37648 9.17656 6.62229 numMergedOcc 0
18 mol 58 unq 3 iso 0 dist 9.4099 9.73139 5.24906 12.2123 9.86039 9.11258 12.5444 6.37648 9.17656 6.62229 numMergedOcc 0
19 mol 58 unq 4 iso 0 dist 9.55426 9.73139 13.1021 12.2123 18.8985 9.11258 12.5444 15.935 9.17656 6.62229 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 9.38498 8.70133 13.4082 5.11416 13.8696 7.10439 7.04044 15.7304 11.2505 6.48232 numMergedOcc 0
21 mol 73 unq 1 iso 0 dist 5.93252 5.64598 9.77992 8.44406 13.6162 7.10439 13.1821 18.9907 11.2505 6.48232 numMergedOcc 0
22 mol 73 unq 2 iso 0 dist 9.96396 8.70133 7.41074 5.11416 9.24757 7.10439 7.04044 8.26458 11.2505 6.48232 numMergedOcc 0
23 mol 73 unq 3 iso 0 dist 6.19304 4.65521 7.41074 6.56633 9.24757 7.10439 8.73253 8.26458 11.2505 6.48232 numMergedOcc 0
24 mol 73 unq 4 iso 0 dist 9.75218 8.70133 15.9882 5.11416 13.0145 7.10439 7.04044 8.35241 11.2505 6.48232 numMergedOcc 0
25 mol 115 unq 0 iso 0 dist 6.11741 6.99777 10.8292 5.22052 11.0224 5.60389 5.74857 6.08806 6.03931 8.85881 numMergedOcc 0
26 mol 115 unq 1 iso 0 dist 7.88312 6.99777 11.7126 5.22052 12.13 5.60389 5.74857 7.21418 6.03931 8.85881 numMergedOcc 0
27 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 15.5019 17.9198 7.26955 17.1697 15.9169 9.0892 9.9151 numMergedOcc 0
28 mol 119 unq 1 iso 0 dist 9.87172 7.44174 7.36192 10.314 14.2293 7.26955 15.0262 11.8523 9.0892 9.9151 numMergedOcc 0
29 mol 126 unq 0 iso 0 dist 6.06638 7.75534 7.01257 6.0268 6.30546 7.36017 9.46588 5.5703 5.83002 5.94233 numMergedOcc 0
30 mol 126 unq 1 iso 0 dist 6.06638 7.75534 7.01257 8.01268 10.0699 5.14819 9.46588 5.5703 5.83002 8.56219 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 6.54501 8.6355 10.1448 5.71679 7.69991 8.73604 13.846 13.1292 9.65798 9.30061 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 8.94367 8.79571 5.41704 4.57832 6.23142 8.73604 8.20836 9.4027 9.65798 9.30061 numMergedOcc 0
33 mol 134 unq 2 iso 0 dist 6.37586 5.42582 5.41704 5.29786 6.23142 8.73604 10.873 9.4027 9.65798 9.30061 numMergedOcc 0
34 mol 134 unq 3 iso 0 dist 6.49416 8.6355 5.41704 5.71679 6.23142 8.73604 13.846 9.4027 9.65798 9.30061 numMergedOcc 0
35 mol 134 unq 4 iso 0 dist 9.86662 8.79571 6.17103 4.57832 9.94764 8.73604 8.20836 5.12325 9.65798 9.30061 numMergedOcc 0
36 mol 134 unq 5 iso 0 dist 9.71307 5.42582 6.17103 5.29786 9.94764 8.73604 10.873 5.12325 9.65798 9.30061 numMergedOcc 0
37 mol 156 unq 0 iso 0 dist 8.34702 7.36119 11.787 5.81563 13.0658 6.05323 5.38091 10.7023 5.33988 7.46845 numMergedOcc 0
38 mol 156 unq 1 iso 0 dist 9.06726 7.36119 7.71144 5.81563 11.5017 6.05323 5.38091 9.00862 5.33988 7.46845 numMergedOcc 0
39 mol 156 unq 2 iso 0 dist 8.33171 7.36119 9.22231 5.81563 10.0063 6.05323 5.38091 11.1271 5.33988 7.46845 numMergedOcc 0
40 mol 175 unq 0 iso 0 dist 9.29945 9.52634 9.11521 6.77832 12.6314 8.99988 7.35824 12.5754 6.05776 5.60528 numMergedOcc 0
41 mol 175 unq 1 iso 0 dist 9.29945 9.52634 9.11521 6.77832 12.6314 8.99988 9.17364 10.0424 5.85047 5.5995 numMergedOcc 0
42 mol 175 unq 2 iso 0 dist 9.0018 9.8589 8.22779 8.29015 10.4182 5.4997 12.6297 13.9336 5.95187 5.89564 numMergedOcc 0
43 mol 175 unq 3 iso 0 dist 9.0018 9.8589 8.22779 14.7282 13.5281 6.99693 12.6297 13.9336 5.95187 5.60528 numMergedOcc 0
44 mol 175 unq 4 iso 0 dist 9.0018 9.8589 8.22779 14.7282 13.5281 6.99693 15.2721 11.873 5.46129 5.5995 numMergedOcc 0
45 mol 175 unq 5 iso 0 dist 7.652 7.24908 8.22779 4.63177 10.4182 5.4997 10.1905 13.9336 5.95187 5.89564 numMergedOcc 0
46 mol 175 unq 6 iso 0 dist 7.652 7.24908 8.22779 9.30597 13.5281 6.99693 10.1905 13.9336 5.95187 5.60528 numMergedOcc 0
47 mol 175 unq 7 iso 0 dist 7.652 7.24908 8.22779 9.30597 13.5281 6.99693 11.1503 11.873 5.46129 5.5995 numMergedOcc 0
48 mol 175 unq 8 iso 0 dist 5.6234 9.8589 10.5631 8.29015 11.6765 5.4997 12.6297 15.1986 5.95187 5.89564 numMergedOcc 0
49 mol 175 unq 9 iso 0 dist 5.6234 9.8589 10.5631 14.7282 16.8306 6.99693 12.6297 15.1986 5.95187 5.60528 numMergedOcc 0
50 mol 175 unq 10 iso 0 dist 5.6234 9.8589 10.5631 14.7282 16.8306 6.99693 15.2721 15.5696 5.46129 5.5995 numMergedOcc 0
51 mol 175 unq 11 iso 0 dist 9.92231 7.24908 10.5631 4.63177 11.6765 5.4997 10.1905 15.1986 5.95187 5.89564 numMergedOcc 0
52 mol 175 unq 12 iso 0 dist 9.92231 7.24908 10.5631 9.30597 16.8306 6.99693 10.1905 15.1986 5.95187 5.60528 numMergedOcc 0
53 mol 175 unq 13 iso 0 dist 9.92231 7.24908 10.5631 9.30597 16.8306 6.99693 11.1503 15.5696 5.46129 5.5995 numMergedOcc 0
54 mol 175 unq 14 iso 0 dist 6.57069 9.8589 7.5414 8.29015 9.77896 5.4997 12.6297 11.3554 5.95187 5.89564 numMergedOcc 0
55 mol 175 unq 15 iso 0 dist 6.57069 9.8589 7.5414 14.7282 14.2813 6.99693 12.6297 11.3554 5.95187 5.60528 numMergedOcc 0
56 mol 175 unq 16 iso 0 dist 6.57069 9.8589 7.5414 14.7282 14.2813 6.99693 15.2721 12.4837 5.46129 5.5995 numMergedOcc 0
57 mol 227 unq 0 iso 0 dist 7.55216 8.83563 11.662 6.67321 13.0798 9.28891 5.87815 10.6244 4.3387 7.95359 numMergedOcc 0
58 mol 253 unq 0 iso 0 dist 9.02271 7.19465 7.92528 5.78064 13.07 9.58354 7.77998 13.6942 14.5407 8.15091 numMergedOcc 0
