0 mol 24 unq 0 iso 0 dist 8.86116 6.72502 6.58998 8.60554 8.52463 6.99746 8.44664 10.971 7.6844 14.1496 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.86116 6.72502 6.58998 8.44664 10.971 7.6844 8.60554 8.52463 6.99746 14.1496 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.86116 6.72502 6.58998 8.60554 8.52463 6.99746 9.44691 13.4893 7.05541 9.62033 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 8.86116 6.72502 6.58998 9.44691 13.4893 7.05541 8.60554 8.52463 6.99746 9.62033 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.86116 6.72502 6.58998 8.44664 10.971 7.6844 9.44691 13.4893 7.05541 10.4263 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 8.86116 6.72502 6.58998 9.44691 13.4893 7.05541 8.44664 10.971 7.6844 10.4263 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.38394 6.72502 6.59374 8.60554 12.3994 6.99746 8.44664 5.30734 7.6844 14.1496 numMergedOcc 0
7 mol 24 unq 2 iso 1 dist 8.38394 6.72502 6.59374 8.44664 5.30734 7.6844 8.60554 12.3994 6.99746 14.1496 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.38394 6.72502 6.59374 8.60554 12.3994 6.99746 9.44691 12.505 7.05541 9.62033 numMergedOcc 0
9 mol 24 unq 3 iso 1 dist 8.38394 6.72502 6.59374 9.44691 12.505 7.05541 8.60554 12.3994 6.99746 9.62033 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 8.38394 6.72502 6.59374 8.44664 5.30734 7.6844 9.44691 12.505 7.05541 10.4263 numMergedOcc 0
11 mol 24 unq 3 iso 1 dist 8.38394 6.72502 6.59374 9.44691 12.505 7.05541 8.44664 5.30734 7.6844 10.4263 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 5.54419 4.93188 4.33963 8.70827 5.59311 9.75636 6.73939 12.176 10.0715 15.0804 numMergedOcc 0
13 mol 24 unq 4 iso 1 dist 5.54419 4.93188 4.33963 6.73939 12.176 10.0715 8.70827 5.59311 9.75636 15.0804 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 7.45383 7.33728 11.7817 9.01548 13.9331 9.12941 12.6805 numMergedOcc 0
15 mol 25 unq 0 iso 1 dist 5.04899 6.6492 9.20601 9.01548 13.9331 9.12941 7.45383 7.33728 11.7817 12.6805 numMergedOcc 0
16 mol 25 unq 1 iso 0 dist 7.57578 6.90155 9.36158 6.16347 9.34396 11.0508 7.92503 6.11127 6.61233 12.7398 numMergedOcc 0
17 mol 25 unq 1 iso 1 dist 7.57578 6.90155 9.36158 7.92503 6.11127 6.61233 6.16347 9.34396 11.0508 12.7398 numMergedOcc 0
18 mol 25 unq 2 iso 0 dist 7.17969 6.90155 10.1525 6.16347 10.8498 11.0508 7.92503 5.30154 6.61233 12.7398 numMergedOcc 0
19 mol 25 unq 2 iso 1 dist 7.17969 6.90155 10.1525 7.92503 5.30154 6.61233 6.16347 10.8498 11.0508 12.7398 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 9.33898 6.61823 6.08245 8.91313 17.5889 14.4996 8.16392 10.8304 6.90324 11.5449 numMergedOcc 0
21 mol 92 unq 0 iso 1 dist 9.33898 6.61823 6.08245 8.16392 10.8304 6.90324 8.91313 17.5889 14.4996 11.5449 numMergedOcc 0
22 mol 92 unq 1 iso 0 dist 9.33898 6.49956 6.86728 8.91313 17.5889 12.0757 8.16392 10.8304 7.64508 11.5449 numMergedOcc 0
23 mol 92 unq 1 iso 1 dist 9.33898 6.49956 6.86728 8.16392 10.8304 7.64508 8.91313 17.5889 12.0757 11.5449 numMergedOcc 0
24 mol 92 unq 2 iso 0 dist 9.64443 6.61823 7.24315 8.91313 13.3881 14.4996 8.16392 5.90097 6.90324 11.5449 numMergedOcc 0
25 mol 92 unq 2 iso 1 dist 9.64443 6.61823 7.24315 8.16392 5.90097 6.90324 8.91313 13.3881 14.4996 11.5449 numMergedOcc 0
26 mol 92 unq 3 iso 0 dist 9.64443 6.49956 12.163 8.91313 13.3881 12.0757 8.16392 5.90097 7.64508 11.5449 numMergedOcc 0
27 mol 92 unq 3 iso 1 dist 9.64443 6.49956 12.163 8.16392 5.90097 7.64508 8.91313 13.3881 12.0757 11.5449 numMergedOcc 0
28 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 6.52773 7.20179 6.96805 9.23858 9.89358 13.3975 12.3703 numMergedOcc 0
29 mol 119 unq 0 iso 1 dist 8.73993 8.56342 4.91132 9.23858 9.89358 13.3975 6.52773 7.20179 6.96805 12.3703 numMergedOcc 0
30 mol 119 unq 1 iso 0 dist 8.73993 6.37542 6.08167 6.52773 7.20179 4.86811 9.23858 9.89358 8.00229 12.3703 numMergedOcc 0
31 mol 119 unq 1 iso 1 dist 8.73993 6.37542 6.08167 9.23858 9.89358 8.00229 6.52773 7.20179 4.86811 12.3703 numMergedOcc 0
32 mol 129 unq 0 iso 0 dist 5.83384 8.03372 6.67948 9.36851 10.7293 6.84211 4.97175 7.29399 4.53459 5.41583 numMergedOcc 0
33 mol 129 unq 0 iso 1 dist 5.83384 8.03372 6.67948 4.97175 7.29399 4.53459 9.36851 10.7293 6.84211 5.41583 numMergedOcc 0
34 mol 131 unq 0 iso 0 dist 6.85062 9.29384 9.32969 8.70296 14.2045 10.8127 9.25558 5.09131 11.2516 14.5627 numMergedOcc 0
35 mol 131 unq 0 iso 1 dist 6.85062 9.29384 9.32969 9.25558 5.09131 11.2516 8.70296 14.2045 10.8127 14.5627 numMergedOcc 0
36 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 7.78652 6.48978 15.0801 8.91301 5.20762 15.0315 4.30566 numMergedOcc 0
37 mol 143 unq 0 iso 1 dist 5.99315 8.41611 12.7056 8.91301 5.20762 15.0315 7.78652 6.48978 15.0801 4.30566 numMergedOcc 0
38 mol 143 unq 1 iso 0 dist 5.99315 7.63338 12.8872 7.78652 6.48978 11.5146 8.91301 5.20762 13.434 4.30566 numMergedOcc 0
39 mol 143 unq 1 iso 1 dist 5.99315 7.63338 12.8872 8.91301 5.20762 13.434 7.78652 6.48978 11.5146 4.30566 numMergedOcc 0
40 mol 143 unq 2 iso 0 dist 5.99315 9.03707 7.76364 7.78652 6.48978 8.97873 8.91301 5.20762 6.29542 4.30566 numMergedOcc 0
41 mol 143 unq 2 iso 1 dist 5.99315 9.03707 7.76364 8.91301 5.20762 6.29542 7.78652 6.48978 8.97873 4.30566 numMergedOcc 0
42 mol 143 unq 3 iso 0 dist 5.99315 7.25673 9.23795 7.78652 6.48978 6.60479 8.91301 5.20762 7.54337 4.30566 numMergedOcc 0
43 mol 143 unq 3 iso 1 dist 5.99315 7.25673 9.23795 8.91301 5.20762 7.54337 7.78652 6.48978 6.60479 4.30566 numMergedOcc 0
44 mol 156 unq 0 iso 0 dist 8.34702 7.73169 5.71107 7.30357 10.4977 8.40261 8.61587 12.4274 12.8796 6.12113 numMergedOcc 0
45 mol 156 unq 0 iso 1 dist 8.34702 7.73169 5.71107 8.61587 12.4274 12.8796 7.30357 10.4977 8.40261 6.12113 numMergedOcc 0
46 mol 156 unq 1 iso 0 dist 8.34702 5.38091 10.7023 7.30357 10.4977 12.4049 8.61587 12.4274 11.7015 6.12113 numMergedOcc 0
47 mol 156 unq 1 iso 1 dist 8.34702 5.38091 10.7023 8.61587 12.4274 11.7015 7.30357 10.4977 12.4049 6.12113 numMergedOcc 0
48 mol 156 unq 2 iso 0 dist 9.06726 7.73169 11.2067 7.30357 12.3086 8.40261 8.61587 10.9151 12.8796 6.12113 numMergedOcc 0
49 mol 156 unq 2 iso 1 dist 9.06726 7.73169 11.2067 8.61587 10.9151 12.8796 7.30357 12.3086 8.40261 6.12113 numMergedOcc 0
50 mol 156 unq 3 iso 0 dist 9.06726 5.38091 9.00862 7.30357 12.3086 12.4049 8.61587 10.9151 11.7015 6.12113 numMergedOcc 0
51 mol 156 unq 3 iso 1 dist 9.06726 5.38091 9.00862 8.61587 10.9151 11.7015 7.30357 12.3086 12.4049 6.12113 numMergedOcc 0
52 mol 156 unq 4 iso 0 dist 8.33171 7.73169 9.44399 7.30357 7.79535 8.40261 8.61587 6.98125 12.8796 6.12113 numMergedOcc 0
53 mol 156 unq 4 iso 1 dist 8.33171 7.73169 9.44399 8.61587 6.98125 12.8796 7.30357 7.79535 8.40261 6.12113 numMergedOcc 0
54 mol 156 unq 5 iso 0 dist 8.33171 5.38091 11.1271 7.30357 7.79535 12.4049 8.61587 6.98125 11.7015 6.12113 numMergedOcc 0
55 mol 156 unq 5 iso 1 dist 8.33171 5.38091 11.1271 8.61587 6.98125 11.7015 7.30357 7.79535 12.4049 6.12113 numMergedOcc 0
56 mol 170 unq 0 iso 0 dist 9.76807 8.15099 7.72147 6.35982 4.34698 7.29587 7.51126 5.75144 8.73585 6.24983 numMergedOcc 0
57 mol 170 unq 0 iso 1 dist 9.76807 8.15099 7.72147 7.51126 5.75144 8.73585 6.35982 4.34698 7.29587 6.24983 numMergedOcc 0
58 mol 227 unq 0 iso 0 dist 9.34734 8.03442 10.2525 7.43071 6.00424 12.8075 5.41321 10.7656 4.59123 11.362 numMergedOcc 0
59 mol 227 unq 0 iso 1 dist 9.34734 8.03442 10.2525 5.41321 10.7656 4.59123 7.43071 6.00424 12.8075 11.362 numMergedOcc 0
60 mol 227 unq 1 iso 0 dist 7.22101 8.03442 10.5813 7.43071 6.35849 12.8075 5.41321 10.9607 4.59123 11.362 numMergedOcc 0
61 mol 227 unq 1 iso 1 dist 7.22101 8.03442 10.5813 5.41321 10.9607 4.59123 7.43071 6.35849 12.8075 11.362 numMergedOcc 0
62 mol 227 unq 2 iso 0 dist 8.65997 8.03442 7.22396 7.43071 10.204 12.8075 5.41321 9.72615 4.59123 11.362 numMergedOcc 0
63 mol 227 unq 2 iso 1 dist 8.65997 8.03442 7.22396 5.41321 9.72615 4.59123 7.43071 10.204 12.8075 11.362 numMergedOcc 0
64 mol 227 unq 3 iso 0 dist 7.56888 8.03442 6.10296 7.43071 9.76735 12.8075 5.41321 5.10635 4.59123 11.362 numMergedOcc 0
65 mol 227 unq 3 iso 1 dist 7.56888 8.03442 6.10296 5.41321 5.10635 4.59123 7.43071 9.76735 12.8075 11.362 numMergedOcc 0
66 mol 227 unq 4 iso 0 dist 7.55216 8.03442 9.69537 7.43071 9.32448 12.8075 5.41321 6.48027 4.59123 11.362 numMergedOcc 0
67 mol 227 unq 4 iso 1 dist 7.55216 8.03442 9.69537 5.41321 6.48027 4.59123 7.43071 9.32448 12.8075 11.362 numMergedOcc 0
68 mol 234 unq 0 iso 0 dist 8.41436 9.007 8.16888 6.30154 7.44558 7.82953 7.32499 10.7902 5.76537 10.0708 numMergedOcc 0
69 mol 234 unq 0 iso 1 dist 8.41436 9.007 8.16888 7.32499 10.7902 5.76537 6.30154 7.44558 7.82953 10.0708 numMergedOcc 0
70 mol 234 unq 1 iso 0 dist 8.92474 9.007 5.3211 6.30154 10.9712 7.82953 7.32499 4.4288 5.76537 10.0708 numMergedOcc 0
71 mol 234 unq 1 iso 1 dist 8.92474 9.007 5.3211 7.32499 4.4288 5.76537 6.30154 10.9712 7.82953 10.0708 numMergedOcc 0
