0 mol 25 unq 0 iso 0 dist 8.40051 8.6396 10.9391 5.77745 5.63212 6.47509 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 8.6396 8.40051 10.9391 5.77745 6.47509 5.63212 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.88413 9.87281 10.8648 8.27137 11.4148 14.1577 numMergedOcc 0
3 mol 25 unq 1 iso 1 dist 9.87281 8.88413 10.8648 8.27137 14.1577 11.4148 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 8.88413 7.63928 10.2779 8.27137 11.4148 14.321 numMergedOcc 0
5 mol 25 unq 2 iso 1 dist 7.63928 8.88413 10.2779 8.27137 14.321 11.4148 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 9.87281 7.63928 4.51512 8.27137 14.1577 14.321 numMergedOcc 0
7 mol 25 unq 2 iso 1 dist 7.63928 9.87281 4.51512 8.27137 14.321 14.1577 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.36193 4.88613 4.81926 8.85156 4.23671 5.6823 numMergedOcc 0
9 mol 58 unq 0 iso 1 dist 4.88613 6.36193 4.81926 8.85156 5.6823 4.23671 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 8.69069 9.65047 15.3836 9.70292 7.26851 14.2178 numMergedOcc 0
11 mol 95 unq 0 iso 1 dist 9.65047 8.69069 15.3836 9.70292 14.2178 7.26851 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 8.69069 9.65047 15.3836 9.59704 9.13016 8.78079 numMergedOcc 0
13 mol 95 unq 1 iso 1 dist 9.65047 8.69069 15.3836 9.59704 8.78079 9.13016 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 7.95871 9.80286 12.5968 9.79864 9.62029 4.81028 numMergedOcc 0
15 mol 115 unq 0 iso 1 dist 9.80286 7.95871 12.5968 9.79864 4.81028 9.62029 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 7.91337 6.40546 8.61848 5.90003 6.30721 10.5082 numMergedOcc 0
17 mol 119 unq 0 iso 1 dist 6.40546 7.91337 8.61848 5.90003 10.5082 6.30721 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 8.82535 6.18763 4.72062 9.10803 9.20252 9.85023 numMergedOcc 0
19 mol 119 unq 1 iso 1 dist 6.18763 8.82535 4.72062 9.10803 9.85023 9.20252 numMergedOcc 0
20 mol 119 unq 2 iso 0 dist 8.82535 8.44385 10.0278 9.10803 9.20252 12.4829 numMergedOcc 0
21 mol 119 unq 2 iso 1 dist 8.44385 8.82535 10.0278 9.10803 12.4829 9.20252 numMergedOcc 0
22 mol 119 unq 3 iso 0 dist 8.82535 5.63005 9.93385 9.10803 9.20252 8.84069 numMergedOcc 0
23 mol 119 unq 3 iso 1 dist 5.63005 8.82535 9.93385 9.10803 8.84069 9.20252 numMergedOcc 0
24 mol 119 unq 2 iso 0 dist 6.18763 8.44385 10.9871 9.10803 9.85023 12.4829 numMergedOcc 0
25 mol 119 unq 2 iso 1 dist 8.44385 6.18763 10.9871 9.10803 12.4829 9.85023 numMergedOcc 0
26 mol 119 unq 3 iso 0 dist 6.18763 5.63005 9.93257 9.10803 9.85023 8.84069 numMergedOcc 0
27 mol 119 unq 3 iso 1 dist 5.63005 6.18763 9.93257 9.10803 8.84069 9.85023 numMergedOcc 0
28 mol 119 unq 3 iso 0 dist 8.44385 5.63005 4.85907 9.10803 12.4829 8.84069 numMergedOcc 0
29 mol 119 unq 3 iso 1 dist 5.63005 8.44385 4.85907 9.10803 8.84069 12.4829 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 9.60369 9.55556 5.62899 8.78303 4.46337 7.41373 numMergedOcc 0
31 mol 134 unq 0 iso 1 dist 9.55556 9.60369 5.62899 8.78303 7.41373 4.46337 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 8.10287 5.4913 9.33648 5.06713 8.90569 8.67921 numMergedOcc 0
33 mol 205 unq 0 iso 1 dist 5.4913 8.10287 9.33648 5.06713 8.67921 8.90569 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 8.10287 5.4913 9.33648 8.69512 6.37317 12.8695 numMergedOcc 0
35 mol 205 unq 1 iso 1 dist 5.4913 8.10287 9.33648 8.69512 12.8695 6.37317 numMergedOcc 0
36 mol 219 unq 0 iso 0 dist 4.87446 7.49235 6.74494 9.74779 8.8527 11.4193 numMergedOcc 0
37 mol 219 unq 0 iso 1 dist 7.49235 4.87446 6.74494 9.74779 11.4193 8.8527 numMergedOcc 0
38 mol 224 unq 0 iso 0 dist 8.39002 8.46129 5.0744 6.32334 7.05804 5.76843 numMergedOcc 0
39 mol 224 unq 0 iso 1 dist 8.46129 8.39002 5.0744 6.32334 5.76843 7.05804 numMergedOcc 0
40 mol 224 unq 1 iso 0 dist 8.39002 9.2053 5.60236 6.32334 7.05804 4.54188 numMergedOcc 0
41 mol 224 unq 1 iso 1 dist 9.2053 8.39002 5.60236 6.32334 4.54188 7.05804 numMergedOcc 0
42 mol 224 unq 1 iso 0 dist 8.46129 9.2053 6.91102 6.32334 5.76843 4.54188 numMergedOcc 0
43 mol 224 unq 1 iso 1 dist 9.2053 8.46129 6.91102 6.32334 4.54188 5.76843 numMergedOcc 0
44 mol 236 unq 0 iso 0 dist 6.11137 7.89744 6.59448 9.94117 10.5937 14.162 numMergedOcc 0
45 mol 236 unq 0 iso 1 dist 7.89744 6.11137 6.59448 9.94117 14.162 10.5937 numMergedOcc 0
46 mol 237 unq 0 iso 0 dist 9.42743 9.5822 16.5066 9.58403 11.815 7.94861 numMergedOcc 0
47 mol 237 unq 0 iso 1 dist 9.5822 9.42743 16.5066 9.58403 7.94861 11.815 numMergedOcc 0
48 mol 264 unq 0 iso 0 dist 7.36905 6.83408 8.96144 9.13546 5.71153 6.56539 numMergedOcc 0
49 mol 264 unq 0 iso 1 dist 6.83408 7.36905 8.96144 9.13546 6.56539 5.71153 numMergedOcc 0
50 mol 264 unq 1 iso 0 dist 7.36905 6.83408 8.96144 8.7365 6.87635 4.76241 numMergedOcc 0
51 mol 264 unq 1 iso 1 dist 6.83408 7.36905 8.96144 8.7365 4.76241 6.87635 numMergedOcc 0
52 mol 274 unq 0 iso 0 dist 6.55855 9.52894 6.828 4.97796 8.87855 13.0867 numMergedOcc 0
53 mol 274 unq 0 iso 1 dist 9.52894 6.55855 6.828 4.97796 13.0867 8.87855 numMergedOcc 0
54 mol 292 unq 0 iso 0 dist 9.64124 9.30668 5.4956 5.72473 6.80049 7.8414 numMergedOcc 0
55 mol 292 unq 0 iso 1 dist 9.30668 9.64124 5.4956 5.72473 7.8414 6.80049 numMergedOcc 0
56 mol 292 unq 1 iso 0 dist 5.75596 9.11438 10.0122 9.7061 5.50627 11.5965 numMergedOcc 0
57 mol 292 unq 1 iso 1 dist 9.11438 5.75596 10.0122 9.7061 11.5965 5.50627 numMergedOcc 0
58 mol 292 unq 2 iso 0 dist 5.75596 8.37867 12.1693 9.7061 5.50627 14.7162 numMergedOcc 0
59 mol 292 unq 2 iso 1 dist 8.37867 5.75596 12.1693 9.7061 14.7162 5.50627 numMergedOcc 0
60 mol 292 unq 2 iso 0 dist 9.11438 8.37867 5.51626 9.7061 11.5965 14.7162 numMergedOcc 0
61 mol 292 unq 2 iso 1 dist 8.37867 9.11438 5.51626 9.7061 14.7162 11.5965 numMergedOcc 0
