0 mol 1 unq 0 iso 0 dist 6.4181 5.06184 6.86701 7.90928 5.11735 5.96833 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.8603 16.6461 9.67164 20.1827 10.515 8.81608 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 5.51421 4.7739 5.99459 10.9688 6.06176 8.81608 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.40051 13.591 9.48085 12.5693 12.1492 8.53931 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.6396 13.591 9.49421 12.5693 4.70708 8.53931 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 8.1599 5.46563 6.9103 8.84323 5.49555 9.1062 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 9.46247 3.77705 8.3733 5.70192 10.331 8.96498 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 9.71952 6.69911 8.13108 14.6648 10.963 9.4866 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 9.71952 6.69911 8.13108 8.6411 7.18506 9.40363 numMergedOcc 0
9 mol 76 unq 2 iso 0 dist 7.28257 3.94216 8.13108 12.6331 10.963 9.4866 numMergedOcc 0
10 mol 76 unq 3 iso 0 dist 7.28257 3.94216 8.13108 8.94956 7.18506 9.40363 numMergedOcc 0
11 mol 78 unq 0 iso 0 dist 9.10981 9.89481 8.65848 10.1762 5.22036 5.47706 numMergedOcc 0
12 mol 78 unq 1 iso 0 dist 9.10981 3.89733 7.25801 10.1762 5.22036 8.89842 numMergedOcc 0
13 mol 78 unq 2 iso 0 dist 9.23023 13.8703 6.85523 13.8574 4.92509 5.47706 numMergedOcc 0
14 mol 78 unq 3 iso 0 dist 9.23023 11.9719 5.77326 13.8574 4.92509 8.07568 numMergedOcc 0
15 mol 112 unq 0 iso 0 dist 7.53905 3.61827 9.05166 9.45003 6.35364 8.91262 numMergedOcc 0
16 mol 112 unq 1 iso 0 dist 7.53905 3.78964 5.56994 9.45003 6.35364 6.12922 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 5.02717 12.6105 9.42082 13.1716 10.9739 8.0168 numMergedOcc 0
18 mol 117 unq 0 iso 0 dist 6.90827 5.61881 8.84018 9.58171 4.91401 9.94053 numMergedOcc 0
19 mol 117 unq 1 iso 0 dist 8.90977 9.58747 8.84018 13.2996 4.91401 9.94053 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 6.18763 5.92411 8.95212 10.2497 10.3457 6.13374 numMergedOcc 0
21 mol 119 unq 1 iso 0 dist 6.18763 5.92411 8.95212 13.4009 16.7975 9.08536 numMergedOcc 0
22 mol 119 unq 2 iso 0 dist 8.44385 5.92411 6.99446 10.2497 6.35763 6.13374 numMergedOcc 0
23 mol 119 unq 3 iso 0 dist 8.44385 5.92411 6.99446 13.4009 7.36192 9.08536 numMergedOcc 0
24 mol 119 unq 4 iso 0 dist 5.63005 5.92411 7.64052 10.2497 10.0197 6.13374 numMergedOcc 0
25 mol 119 unq 5 iso 0 dist 5.63005 5.92411 7.64052 13.4009 10.6679 9.08536 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 5.82404 11.5628 8.77023 15.0113 9.53782 8.55349 numMergedOcc 0
27 mol 143 unq 0 iso 0 dist 8.30654 9.60065 7.36975 11.674 6.01455 7.05845 numMergedOcc 0
28 mol 143 unq 1 iso 0 dist 8.30654 9.60065 7.36975 10.2332 5.44503 8.18023 numMergedOcc 0
29 mol 143 unq 2 iso 0 dist 8.30654 4.68518 5.40637 10.2332 5.44503 7.46803 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 9.84952 7.19461 6.64173 6.17129 6.7991 9.09234 numMergedOcc 0
31 mol 181 unq 1 iso 0 dist 9.84952 9.77747 9.01624 6.17129 6.7991 6.76746 numMergedOcc 0
32 mol 181 unq 2 iso 0 dist 9.84952 10.0615 9.55105 6.17129 6.7991 8.92098 numMergedOcc 0
33 mol 181 unq 3 iso 0 dist 7.41378 4.76079 5.05973 5.83596 8.35755 6.76746 numMergedOcc 0
34 mol 197 unq 0 iso 0 dist 8.3337 17.2264 9.10817 10.7619 5.2908 9.27218 numMergedOcc 0
35 mol 214 unq 0 iso 0 dist 9.51764 14.8375 7.46481 11.3587 6.67959 8.70987 numMergedOcc 0
36 mol 214 unq 1 iso 0 dist 5.36829 5.47184 7.46481 10.5513 6.67959 8.70987 numMergedOcc 0
37 mol 234 unq 0 iso 0 dist 7.86368 9.8663 7.81215 10.0197 5.56749 9.11572 numMergedOcc 0
38 mol 234 unq 1 iso 0 dist 7.86368 9.8663 7.81215 17.1531 15.015 9.49229 numMergedOcc 0
39 mol 234 unq 2 iso 0 dist 7.86368 9.8663 7.81215 16.337 12.1076 7.20293 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 9.54857 5.49348 5.85442 10.5864 5.79468 6.23661 numMergedOcc 0
41 mol 259 unq 1 iso 0 dist 6.42725 11.761 8.03219 8.65525 5.31048 8.84648 numMergedOcc 0
42 mol 259 unq 2 iso 0 dist 6.42725 6.09466 6.9899 8.65525 5.31048 6.23661 numMergedOcc 0
43 mol 267 unq 0 iso 0 dist 9.62043 8.3484 7.34981 11.2069 6.45566 5.08174 numMergedOcc 0
44 mol 272 unq 0 iso 0 dist 9.64596 3.7218 6.44147 11.6311 6.64985 8.84523 numMergedOcc 0
45 mol 274 unq 0 iso 0 dist 9.65265 11.4981 6.4611 10.1897 5.31116 6.66172 numMergedOcc 0
46 mol 292 unq 0 iso 0 dist 9.6898 18.4042 9.9182 19.3694 9.98079 9.08193 numMergedOcc 0
47 mol 292 unq 1 iso 0 dist 9.6898 18.4042 9.9182 27.0006 18.0293 8.73515 numMergedOcc 0
48 mol 292 unq 2 iso 0 dist 5.75596 6.65781 9.9182 10.7352 9.98079 9.08193 numMergedOcc 0
49 mol 292 unq 3 iso 0 dist 5.75596 6.65781 9.9182 14.2121 18.0293 8.73515 numMergedOcc 0
50 mol 292 unq 4 iso 0 dist 8.37867 6.65781 9.10788 10.7352 10.0311 9.08193 numMergedOcc 0
51 mol 292 unq 5 iso 0 dist 8.37867 6.65781 9.10788 14.2121 10.8709 8.73515 numMergedOcc 0
