0 mol 67 unq 0 iso 0 dist 9.46247 3.77705 8.3733 5.70192 10.331 8.96498 11.7466 17.7629 15.3956 7.5228 numMergedOcc 0
1 mol 78 unq 0 iso 0 dist 9.10981 9.89481 8.65848 10.1762 5.22036 5.47706 3.89733 7.25801 7.95975 8.89842 numMergedOcc 0
2 mol 78 unq 1 iso 0 dist 9.10981 9.89481 8.65848 10.1762 5.22036 5.47706 17.3308 12.35 8.2592 8.07568 numMergedOcc 0
3 mol 78 unq 2 iso 0 dist 9.10981 3.89733 7.25801 10.1762 5.22036 8.89842 9.89481 8.65848 7.95975 5.47706 numMergedOcc 0
4 mol 78 unq 3 iso 0 dist 9.10981 3.89733 7.25801 10.1762 5.22036 8.89842 17.3308 12.35 15.4762 8.07568 numMergedOcc 0
5 mol 78 unq 4 iso 0 dist 9.23023 13.8703 6.85523 13.8574 4.92509 5.47706 17.128 11.5776 7.95975 8.89842 numMergedOcc 0
6 mol 78 unq 5 iso 0 dist 9.23023 13.8703 6.85523 13.8574 4.92509 5.47706 11.9719 5.77326 8.2592 8.07568 numMergedOcc 0
7 mol 78 unq 6 iso 0 dist 9.23023 11.9719 5.77326 13.8574 4.92509 8.07568 13.8703 6.85523 8.2592 5.47706 numMergedOcc 0
8 mol 78 unq 7 iso 0 dist 9.23023 11.9719 5.77326 13.8574 4.92509 8.07568 17.128 11.5776 15.4762 8.89842 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 7.53905 3.61827 9.05166 9.45003 6.35364 8.91262 3.78964 5.56994 5.11 6.12922 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 7.53905 3.78964 5.56994 9.45003 6.35364 6.12922 3.61827 9.05166 5.11 8.91262 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 6.18763 5.92411 8.95212 13.4009 16.7975 9.08536 15.5571 20.5378 12.7135 6.55202 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 8.44385 5.92411 6.99446 13.4009 7.36192 9.08536 15.5571 11.2897 12.7135 6.55202 numMergedOcc 0
13 mol 119 unq 2 iso 0 dist 5.63005 5.92411 7.64052 13.4009 10.6679 9.08536 15.5571 12.31 12.7135 6.55202 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 8.30654 9.60065 7.36975 10.2332 5.44503 8.18023 4.68518 5.40637 10.1474 7.46803 numMergedOcc 0
15 mol 143 unq 1 iso 0 dist 8.30654 4.68518 5.40637 10.2332 5.44503 7.46803 9.60065 7.36975 10.1474 8.18023 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.84952 7.19461 6.64173 6.17129 6.7991 9.09234 9.77747 9.01624 11.196 6.76746 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 9.84952 7.19461 6.64173 6.17129 6.7991 9.09234 10.0615 9.55105 10.1041 8.92098 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 9.84952 9.77747 9.01624 6.17129 6.7991 6.76746 7.19461 6.64173 11.196 9.09234 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 9.84952 9.77747 9.01624 6.17129 6.7991 6.76746 10.0615 9.55105 3.55187 8.92098 numMergedOcc 0
20 mol 181 unq 4 iso 0 dist 9.84952 10.0615 9.55105 6.17129 6.7991 8.92098 7.19461 6.64173 10.1041 9.09234 numMergedOcc 0
21 mol 181 unq 5 iso 0 dist 9.84952 10.0615 9.55105 6.17129 6.7991 8.92098 9.77747 9.01624 3.55187 6.76746 numMergedOcc 0
22 mol 181 unq 6 iso 0 dist 7.41378 4.76079 5.05973 5.83596 8.35755 6.76746 11.195 15.3823 11.196 9.09234 numMergedOcc 0
23 mol 181 unq 7 iso 0 dist 7.41378 4.76079 5.05973 5.83596 8.35755 6.76746 6.38851 8.40951 3.55187 8.92098 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 9.54857 5.49348 5.85442 10.5864 5.79468 6.23661 12.2785 11.7465 8.0048 8.84648 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 6.42725 11.761 8.03219 8.65525 5.31048 8.84648 6.09466 6.9899 8.0048 6.23661 numMergedOcc 0
26 mol 259 unq 2 iso 0 dist 6.42725 6.09466 6.9899 8.65525 5.31048 6.23661 11.761 8.03219 8.0048 8.84648 numMergedOcc 0
27 mol 267 unq 0 iso 0 dist 9.62043 8.3484 7.34981 11.2069 6.45566 5.08174 16.7555 10.3168 11.3792 6.32877 numMergedOcc 0
28 mol 267 unq 1 iso 0 dist 9.62043 8.3484 7.34981 11.2069 6.45566 5.08174 19.2033 15.2499 13.5886 9.48115 numMergedOcc 0
29 mol 267 unq 2 iso 0 dist 9.62043 8.3484 7.34981 11.2069 6.45566 5.08174 8.67587 11.8835 7.9327 8.38545 numMergedOcc 0
30 mol 267 unq 3 iso 0 dist 9.62043 8.3484 7.34981 11.2069 6.45566 5.08174 9.55775 10.316 3.51278 6.10838 numMergedOcc 0
31 mol 272 unq 0 iso 0 dist 9.64596 3.7218 6.44147 11.6311 6.64985 8.84523 10.2563 11.4951 9.5745 6.95241 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 9.6898 18.4042 9.9182 27.0006 18.0293 8.73515 25.2094 17.5894 8.21724 6.1905 numMergedOcc 0
33 mol 292 unq 1 iso 0 dist 9.6898 18.4042 9.9182 27.0006 18.0293 8.73515 21.746 13.4489 3.57128 5.84792 numMergedOcc 0
34 mol 292 unq 2 iso 0 dist 5.75596 6.65781 9.9182 14.2121 18.0293 8.73515 12.7808 17.5894 8.21724 6.1905 numMergedOcc 0
35 mol 292 unq 3 iso 0 dist 5.75596 6.65781 9.9182 14.2121 18.0293 8.73515 9.55943 13.4489 3.57128 5.84792 numMergedOcc 0
36 mol 292 unq 4 iso 0 dist 8.37867 6.65781 9.10788 14.2121 10.8709 8.73515 12.7808 12.0935 8.21724 6.1905 numMergedOcc 0
37 mol 292 unq 5 iso 0 dist 8.37867 6.65781 9.10788 14.2121 10.8709 8.73515 9.55943 9.96037 3.57128 5.84792 numMergedOcc 0
