0 mol 43 unq 0 iso 0 dist 8.06275 15.4384 8.90024 5.5249 8.80331 13.9129 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 8.90024 15.4384 8.06275 13.9129 8.80331 5.5249 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.06275 15.4384 8.90024 10.4413 6.20293 5.84171 numMergedOcc 0
3 mol 43 unq 1 iso 1 dist 8.90024 15.4384 8.06275 5.84171 6.20293 10.4413 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 6.77833 5.06146 9.83265 5.33532 9.65964 7.6455 numMergedOcc 0
5 mol 70 unq 0 iso 1 dist 9.83265 5.06146 6.77833 7.6455 9.65964 5.33532 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.8079 16.7019 8.3558 5.182 7.4729 15.1474 numMergedOcc 0
7 mol 92 unq 0 iso 1 dist 8.3558 16.7019 9.8079 15.1474 7.4729 5.182 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 9.8079 16.7019 8.3558 10.571 6.82344 8.66262 numMergedOcc 0
9 mol 92 unq 1 iso 1 dist 8.3558 16.7019 9.8079 8.66262 6.82344 10.571 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 9.83528 6.49254 7.54969 12.3158 5.08437 11.7493 numMergedOcc 0
11 mol 98 unq 0 iso 1 dist 7.54969 6.49254 9.83528 11.7493 5.08437 12.3158 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 9.83528 6.49254 7.54969 15.1765 6.48948 10.3366 numMergedOcc 0
13 mol 98 unq 1 iso 1 dist 7.54969 6.49254 9.83528 10.3366 6.48948 15.1765 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 9.83528 6.49254 7.54969 8.06684 6.10456 5.15322 numMergedOcc 0
15 mol 98 unq 2 iso 1 dist 7.54969 6.49254 9.83528 5.15322 6.10456 8.06684 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 9.26438 10.3911 6.43255 5.68669 8.69985 6.80429 numMergedOcc 0
17 mol 109 unq 0 iso 1 dist 6.43255 10.3911 9.26438 6.80429 8.69985 5.68669 numMergedOcc 0
18 mol 109 unq 1 iso 0 dist 9.26438 15.5356 7.4389 5.68669 8.69985 12.3794 numMergedOcc 0
19 mol 109 unq 1 iso 1 dist 7.4389 15.5356 9.26438 12.3794 8.69985 5.68669 numMergedOcc 0
20 mol 109 unq 1 iso 0 dist 6.43255 7.25431 7.4389 6.80429 8.69985 12.3794 numMergedOcc 0
21 mol 109 unq 1 iso 1 dist 7.4389 7.25431 6.43255 12.3794 8.69985 6.80429 numMergedOcc 0
22 mol 112 unq 0 iso 0 dist 7.85583 5.62795 8.86938 4.38646 7.71338 4.9102 numMergedOcc 0
23 mol 112 unq 0 iso 1 dist 8.86938 5.62795 7.85583 4.9102 7.71338 4.38646 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 9.50575 10.8923 8.43116 6.68557 5.11551 4.96719 numMergedOcc 0
25 mol 115 unq 0 iso 1 dist 8.43116 10.8923 9.50575 4.96719 5.11551 6.68557 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 8.66715 15.1512 8.95433 14.0905 7.11802 11.0811 numMergedOcc 0
27 mol 133 unq 0 iso 1 dist 8.95433 15.1512 8.66715 11.0811 7.11802 14.0905 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 4.9155 7.36102 8.49987 9.30817 6.54501 6.47843 numMergedOcc 0
29 mol 134 unq 0 iso 1 dist 8.49987 7.36102 4.9155 6.47843 6.54501 9.30817 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 4.9155 7.36102 8.49987 10.879 6.49416 10.9399 numMergedOcc 0
31 mol 134 unq 1 iso 1 dist 8.49987 7.36102 4.9155 10.9399 6.49416 10.879 numMergedOcc 0
32 mol 134 unq 2 iso 0 dist 4.9155 11.0847 9.42271 9.30817 6.54501 6.16353 numMergedOcc 0
33 mol 134 unq 2 iso 1 dist 9.42271 11.0847 4.9155 6.16353 6.54501 9.30817 numMergedOcc 0
34 mol 134 unq 3 iso 0 dist 4.9155 11.0847 9.42271 10.879 6.49416 7.07625 numMergedOcc 0
35 mol 134 unq 3 iso 1 dist 9.42271 11.0847 4.9155 7.07625 6.49416 10.879 numMergedOcc 0
36 mol 134 unq 2 iso 0 dist 8.49987 8.91755 9.42271 6.47843 6.54501 6.16353 numMergedOcc 0
37 mol 134 unq 2 iso 1 dist 9.42271 8.91755 8.49987 6.16353 6.54501 6.47843 numMergedOcc 0
38 mol 134 unq 3 iso 0 dist 8.49987 8.91755 9.42271 10.9399 6.49416 7.07625 numMergedOcc 0
39 mol 134 unq 3 iso 1 dist 9.42271 8.91755 8.49987 7.07625 6.49416 10.9399 numMergedOcc 0
40 mol 142 unq 0 iso 0 dist 8.86346 4.10205 4.93681 16.7609 9.2313 12.8283 numMergedOcc 0
41 mol 142 unq 0 iso 1 dist 4.93681 4.10205 8.86346 12.8283 9.2313 16.7609 numMergedOcc 0
42 mol 142 unq 1 iso 0 dist 8.86346 4.10205 4.93681 13.5268 7.73169 10.1677 numMergedOcc 0
43 mol 142 unq 1 iso 1 dist 4.93681 4.10205 8.86346 10.1677 7.73169 13.5268 numMergedOcc 0
44 mol 142 unq 2 iso 0 dist 8.86346 4.10205 4.93681 12.1759 8.96657 10.0866 numMergedOcc 0
45 mol 142 unq 2 iso 1 dist 4.93681 4.10205 8.86346 10.0866 8.96657 12.1759 numMergedOcc 0
46 mol 205 unq 0 iso 0 dist 8.57514 4.88176 6.11505 5.56395 9.61492 9.35174 numMergedOcc 0
47 mol 205 unq 0 iso 1 dist 6.11505 4.88176 8.57514 9.35174 9.61492 5.56395 numMergedOcc 0
48 mol 205 unq 1 iso 0 dist 8.57514 4.88176 6.11505 12.397 7.45763 11.3225 numMergedOcc 0
49 mol 205 unq 1 iso 1 dist 6.11505 4.88176 8.57514 11.3225 7.45763 12.397 numMergedOcc 0
50 mol 229 unq 0 iso 0 dist 6.32302 9.90084 8.53615 6.52416 8.22528 6.81165 numMergedOcc 0
51 mol 229 unq 0 iso 1 dist 8.53615 9.90084 6.32302 6.81165 8.22528 6.52416 numMergedOcc 0
52 mol 235 unq 0 iso 0 dist 6.45574 5.16968 8.14407 6.70342 5.4638 6.01036 numMergedOcc 0
53 mol 235 unq 0 iso 1 dist 8.14407 5.16968 6.45574 6.01036 5.4638 6.70342 numMergedOcc 0
54 mol 241 unq 0 iso 0 dist 8.23536 9.1453 6.90245 5.50714 7.4631 5.3674 numMergedOcc 0
55 mol 241 unq 0 iso 1 dist 6.90245 9.1453 8.23536 5.3674 7.4631 5.50714 numMergedOcc 0
56 mol 264 unq 0 iso 0 dist 7.37999 7.19064 7.36703 4.72487 9.361 5.28781 numMergedOcc 0
57 mol 264 unq 0 iso 1 dist 7.36703 7.19064 7.37999 5.28781 9.361 4.72487 numMergedOcc 0
58 mol 264 unq 1 iso 0 dist 7.37999 7.19064 7.36703 11.0659 6.24356 5.91731 numMergedOcc 0
59 mol 264 unq 1 iso 1 dist 7.36703 7.19064 7.37999 5.91731 6.24356 11.0659 numMergedOcc 0
