0 mol 7 unq 0 iso 0 dist 6.36911 13.2247 9.36807 5.03847 9.97624 13.8829 11.8684 17.4118 22.1274 8.60435 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.36807 13.2247 6.36911 13.8829 9.97624 5.03847 22.1274 17.4118 11.8684 8.60435 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 9.80108 7.07775 8.58657 9.32205 8.19695 13.0631 14.5689 8.18566 16.2912 7.46208 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 8.58657 7.07775 9.80108 13.0631 8.19695 9.32205 16.2912 8.18566 14.5689 7.46208 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 6.00439 7.83352 6.20943 6.42867 5.82366 4.64838 7.48847 6.34272 10.1882 6.39966 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 6.20943 7.83352 6.00439 4.64838 5.82366 6.42867 10.1882 6.34272 7.48847 6.39966 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 6.00439 10.8007 7.82528 6.42867 5.82366 4.97119 7.48847 6.34272 6.92532 6.39966 numMergedOcc 0
7 mol 19 unq 2 iso 1 dist 7.82528 10.8007 6.00439 4.97119 5.82366 6.42867 6.92532 6.34272 7.48847 6.39966 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 6.20943 7.67038 7.82528 4.64838 5.82366 4.97119 10.1882 6.34272 6.92532 6.39966 numMergedOcc 0
9 mol 19 unq 2 iso 1 dist 7.82528 7.67038 6.20943 4.97119 5.82366 4.64838 6.92532 6.34272 10.1882 6.39966 numMergedOcc 0
10 mol 45 unq 0 iso 0 dist 6.99408 6.11102 9.3403 13.4503 9.62637 10.6148 13.9502 7.91752 15.174 9.32898 numMergedOcc 0
11 mol 45 unq 0 iso 1 dist 9.3403 6.11102 6.99408 10.6148 9.62637 13.4503 15.174 7.91752 13.9502 9.32898 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 8.63333 5.35073 8.89374 10.2049 9.11258 5.49591 14.62 9.17656 10.9864 6.62229 numMergedOcc 0
13 mol 58 unq 0 iso 1 dist 8.89374 5.35073 8.63333 5.49591 9.11258 10.2049 10.9864 9.17656 14.62 6.62229 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 8.63333 10.8153 6.46761 10.2049 9.11258 5.85698 14.62 9.17656 7.27383 6.62229 numMergedOcc 0
15 mol 58 unq 1 iso 1 dist 6.46761 10.8153 8.63333 5.85698 9.11258 10.2049 7.27383 9.17656 14.62 6.62229 numMergedOcc 0
16 mol 58 unq 2 iso 0 dist 8.63333 14.5953 9.73139 10.2049 9.11258 12.2123 14.62 9.17656 12.5444 6.62229 numMergedOcc 0
17 mol 58 unq 2 iso 1 dist 9.73139 14.5953 8.63333 12.2123 9.11258 10.2049 12.5444 9.17656 14.62 6.62229 numMergedOcc 0
18 mol 58 unq 1 iso 0 dist 8.89374 8.62958 6.46761 5.49591 9.11258 5.85698 10.9864 9.17656 7.27383 6.62229 numMergedOcc 0
19 mol 58 unq 1 iso 1 dist 6.46761 8.62958 8.89374 5.85698 9.11258 5.49591 7.27383 9.17656 10.9864 6.62229 numMergedOcc 0
20 mol 58 unq 2 iso 0 dist 8.89374 14.176 9.73139 5.49591 9.11258 12.2123 10.9864 9.17656 12.5444 6.62229 numMergedOcc 0
21 mol 58 unq 2 iso 1 dist 9.73139 14.176 8.89374 12.2123 9.11258 5.49591 12.5444 9.17656 10.9864 6.62229 numMergedOcc 0
22 mol 58 unq 2 iso 0 dist 6.46761 6.47414 9.73139 5.85698 9.11258 12.2123 7.27383 9.17656 12.5444 6.62229 numMergedOcc 0
23 mol 58 unq 2 iso 1 dist 9.73139 6.47414 6.46761 12.2123 9.11258 5.85698 12.5444 9.17656 7.27383 6.62229 numMergedOcc 0
24 mol 73 unq 0 iso 0 dist 8.70133 7.4697 5.64598 5.11416 7.10439 8.44406 7.04044 11.2505 13.1821 6.48232 numMergedOcc 0
25 mol 73 unq 0 iso 1 dist 5.64598 7.4697 8.70133 8.44406 7.10439 5.11416 13.1821 11.2505 7.04044 6.48232 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 8.70133 5.4148 4.65521 5.11416 7.10439 6.56633 7.04044 11.2505 8.73253 6.48232 numMergedOcc 0
27 mol 73 unq 1 iso 1 dist 4.65521 5.4148 8.70133 6.56633 7.10439 5.11416 8.73253 11.2505 7.04044 6.48232 numMergedOcc 0
28 mol 73 unq 1 iso 0 dist 5.64598 5.7113 4.65521 8.44406 7.10439 6.56633 13.1821 11.2505 8.73253 6.48232 numMergedOcc 0
29 mol 73 unq 1 iso 1 dist 4.65521 5.7113 5.64598 6.56633 7.10439 8.44406 8.73253 11.2505 13.1821 6.48232 numMergedOcc 0
30 mol 76 unq 0 iso 0 dist 6.21982 10.2879 8.19682 4.85247 7.03226 6.45686 11.2278 5.77727 7.27693 9.75201 numMergedOcc 0
31 mol 76 unq 0 iso 1 dist 8.19682 10.2879 6.21982 6.45686 7.03226 4.85247 7.27693 5.77727 11.2278 9.75201 numMergedOcc 0
32 mol 100 unq 0 iso 0 dist 9.39469 6.90824 4.76815 9.36726 7.09065 7.16919 16.8433 10.2428 10.8066 9.5669 numMergedOcc 0
33 mol 100 unq 0 iso 1 dist 4.76815 6.90824 9.39469 7.16919 7.09065 9.36726 10.8066 10.2428 16.8433 9.5669 numMergedOcc 0
34 mol 119 unq 0 iso 0 dist 7.39889 11.6667 9.63176 5.92984 7.26955 15.5019 12.8231 9.0892 17.1697 9.9151 numMergedOcc 0
35 mol 119 unq 0 iso 1 dist 9.63176 11.6667 7.39889 15.5019 7.26955 5.92984 17.1697 9.0892 12.8231 9.9151 numMergedOcc 0
36 mol 119 unq 1 iso 0 dist 7.39889 11.3169 7.44174 5.92984 7.26955 10.314 12.8231 9.0892 15.0262 9.9151 numMergedOcc 0
37 mol 119 unq 1 iso 1 dist 7.44174 11.3169 7.39889 10.314 7.26955 5.92984 15.0262 9.0892 12.8231 9.9151 numMergedOcc 0
38 mol 119 unq 1 iso 0 dist 9.63176 12.4603 7.44174 15.5019 7.26955 10.314 17.1697 9.0892 15.0262 9.9151 numMergedOcc 0
39 mol 119 unq 1 iso 1 dist 7.44174 12.4603 9.63176 10.314 7.26955 15.5019 15.0262 9.0892 17.1697 9.9151 numMergedOcc 0
40 mol 126 unq 0 iso 0 dist 7.75534 7.12167 9.06011 6.0268 7.36017 10.1326 9.46588 5.83002 13.4223 5.94233 numMergedOcc 0
41 mol 126 unq 0 iso 1 dist 9.06011 7.12167 7.75534 10.1326 7.36017 6.0268 13.4223 5.83002 9.46588 5.94233 numMergedOcc 0
42 mol 126 unq 1 iso 0 dist 7.75534 7.12167 9.06011 8.01268 5.14819 6.51507 9.46588 5.83002 13.4223 8.56219 numMergedOcc 0
43 mol 126 unq 1 iso 1 dist 9.06011 7.12167 7.75534 6.51507 5.14819 8.01268 13.4223 5.83002 9.46588 8.56219 numMergedOcc 0
44 mol 134 unq 0 iso 0 dist 8.79571 5.49782 5.42582 4.57832 8.73604 5.29786 8.20836 9.65798 10.873 9.30061 numMergedOcc 0
45 mol 134 unq 0 iso 1 dist 5.42582 5.49782 8.79571 5.29786 8.73604 4.57832 10.873 9.65798 8.20836 9.30061 numMergedOcc 0
46 mol 134 unq 1 iso 0 dist 8.79571 8.80819 8.6355 4.57832 8.73604 5.71679 8.20836 9.65798 13.846 9.30061 numMergedOcc 0
47 mol 134 unq 1 iso 1 dist 8.6355 8.80819 8.79571 5.71679 8.73604 4.57832 13.846 9.65798 8.20836 9.30061 numMergedOcc 0
48 mol 134 unq 1 iso 0 dist 5.42582 5.00817 8.6355 5.29786 8.73604 5.71679 10.873 9.65798 13.846 9.30061 numMergedOcc 0
49 mol 134 unq 1 iso 1 dist 8.6355 5.00817 5.42582 5.71679 8.73604 5.29786 13.846 9.65798 10.873 9.30061 numMergedOcc 0
50 mol 141 unq 0 iso 0 dist 6.93652 5.67306 9.54444 7.42649 5.26989 8.39549 6.69515 8.00633 11.0888 6.94988 numMergedOcc 0
51 mol 141 unq 0 iso 1 dist 9.54444 5.67306 6.93652 8.39549 5.26989 7.42649 11.0888 8.00633 6.69515 6.94988 numMergedOcc 0
52 mol 173 unq 0 iso 0 dist 7.93331 4.83994 6.98095 4.72839 6.64779 8.07089 12.4422 10.2821 14.5628 8.03528 numMergedOcc 0
53 mol 173 unq 0 iso 1 dist 6.98095 4.83994 7.93331 8.07089 6.64779 4.72839 14.5628 10.2821 12.4422 8.03528 numMergedOcc 0
54 mol 173 unq 1 iso 0 dist 7.93331 5.16343 8.31897 4.72839 6.64779 5.70743 12.4422 10.2821 13.1902 8.03528 numMergedOcc 0
55 mol 173 unq 1 iso 1 dist 8.31897 5.16343 7.93331 5.70743 6.64779 4.72839 13.1902 10.2821 12.4422 8.03528 numMergedOcc 0
56 mol 173 unq 1 iso 0 dist 6.98095 8.17887 8.31897 8.07089 6.64779 5.70743 14.5628 10.2821 13.1902 8.03528 numMergedOcc 0
57 mol 173 unq 1 iso 1 dist 8.31897 8.17887 6.98095 5.70743 6.64779 8.07089 13.1902 10.2821 14.5628 8.03528 numMergedOcc 0
58 mol 175 unq 0 iso 0 dist 9.8589 7.42466 7.24908 8.29015 5.4997 4.63177 12.6297 5.95187 10.1905 5.89564 numMergedOcc 0
59 mol 175 unq 0 iso 1 dist 7.24908 7.42466 9.8589 4.63177 5.4997 8.29015 10.1905 5.95187 12.6297 5.89564 numMergedOcc 0
60 mol 175 unq 1 iso 0 dist 9.8589 7.42466 7.24908 14.7282 6.99693 9.30597 12.6297 5.95187 10.1905 5.60528 numMergedOcc 0
61 mol 175 unq 1 iso 1 dist 7.24908 7.42466 9.8589 9.30597 6.99693 14.7282 10.1905 5.95187 12.6297 5.60528 numMergedOcc 0
62 mol 175 unq 2 iso 0 dist 9.8589 7.42466 7.24908 14.7282 6.99693 9.30597 15.2721 5.46129 11.1503 5.5995 numMergedOcc 0
63 mol 175 unq 2 iso 1 dist 7.24908 7.42466 9.8589 9.30597 6.99693 14.7282 11.1503 5.46129 15.2721 5.5995 numMergedOcc 0
64 mol 194 unq 0 iso 0 dist 6.95408 8.2172 9.57538 5.43725 9.86703 10.0597 6.96521 4.05564 11.3758 7.74683 numMergedOcc 0
65 mol 194 unq 0 iso 1 dist 9.57538 8.2172 6.95408 10.0597 9.86703 5.43725 11.3758 4.05564 6.96521 7.74683 numMergedOcc 0
66 mol 194 unq 1 iso 0 dist 6.95408 10.5623 9.2285 5.43725 9.86703 13.5246 6.96521 4.05564 12.3049 7.74683 numMergedOcc 0
67 mol 194 unq 1 iso 1 dist 9.2285 10.5623 6.95408 13.5246 9.86703 5.43725 12.3049 4.05564 6.96521 7.74683 numMergedOcc 0
68 mol 194 unq 2 iso 0 dist 6.95408 11.7618 7.58278 5.43725 9.86703 14.8824 6.96521 4.05564 11.1778 7.74683 numMergedOcc 0
69 mol 194 unq 2 iso 1 dist 7.58278 11.7618 6.95408 14.8824 9.86703 5.43725 11.1778 4.05564 6.96521 7.74683 numMergedOcc 0
70 mol 194 unq 1 iso 0 dist 9.57538 4.53419 9.2285 10.0597 9.86703 13.5246 11.3758 4.05564 12.3049 7.74683 numMergedOcc 0
71 mol 194 unq 1 iso 1 dist 9.2285 4.53419 9.57538 13.5246 9.86703 10.0597 12.3049 4.05564 11.3758 7.74683 numMergedOcc 0
72 mol 194 unq 2 iso 0 dist 9.57538 8.12479 7.58278 10.0597 9.86703 14.8824 11.3758 4.05564 11.1778 7.74683 numMergedOcc 0
73 mol 194 unq 2 iso 1 dist 7.58278 8.12479 9.57538 14.8824 9.86703 10.0597 11.1778 4.05564 11.3758 7.74683 numMergedOcc 0
74 mol 194 unq 2 iso 0 dist 9.2285 4.40125 7.58278 13.5246 9.86703 14.8824 12.3049 4.05564 11.1778 7.74683 numMergedOcc 0
75 mol 194 unq 2 iso 1 dist 7.58278 4.40125 9.2285 14.8824 9.86703 13.5246 11.1778 4.05564 12.3049 7.74683 numMergedOcc 0
