0 mol 25 unq 0 iso 0 dist 8.40051 13.591 9.48085 6.29702 4.79873 12.7147 12.5693 12.1492 8.53931 15.056 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.6396 13.591 9.49421 10.0172 7.52933 16.0628 12.5693 4.70708 8.53931 11.598 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.6396 13.591 9.49421 5.23233 6.55597 12.1732 12.5693 4.70708 8.53931 11.1095 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 8.6396 13.591 9.49421 13.5673 9.71956 8.99147 12.5693 4.70708 8.53931 11.6083 numMergedOcc 0
4 mol 25 unq 4 iso 0 dist 8.6396 13.591 9.49421 10.4709 7.07751 9.54872 12.5693 4.70708 8.53931 10.1706 numMergedOcc 0
5 mol 25 unq 5 iso 0 dist 8.6396 13.591 9.49421 12.2787 8.23761 14.6175 12.5693 4.70708 8.53931 11.6932 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 9.10981 9.89481 8.65848 3.89733 7.25801 7.95975 10.1762 5.22036 5.47706 8.89842 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 9.10981 3.89733 7.25801 9.89481 8.65848 7.95975 10.1762 5.22036 8.89842 5.47706 numMergedOcc 0
8 mol 78 unq 2 iso 0 dist 9.23023 13.8703 6.85523 11.9719 5.77326 8.2592 13.8574 4.92509 5.47706 8.07568 numMergedOcc 0
9 mol 78 unq 3 iso 0 dist 9.23023 11.9719 5.77326 13.8703 6.85523 8.2592 13.8574 4.92509 8.07568 5.47706 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 7.53905 3.61827 9.05166 3.78964 5.56994 5.11 9.45003 6.35364 8.91262 6.12922 numMergedOcc 0
11 mol 112 unq 1 iso 0 dist 7.53905 3.78964 5.56994 3.61827 9.05166 5.11 9.45003 6.35364 6.12922 8.91262 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 5.02717 12.6105 9.42082 5.33827 7.69765 11.044 13.1716 10.9739 8.0168 10.1174 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 8.30654 9.60065 7.36975 4.68518 5.40637 10.1474 11.674 6.01455 7.05845 10.55 numMergedOcc 0
14 mol 143 unq 1 iso 0 dist 8.30654 9.60065 7.36975 4.68518 5.40637 10.1474 10.2332 5.44503 8.18023 7.46803 numMergedOcc 0
15 mol 143 unq 2 iso 0 dist 8.30654 4.68518 5.40637 9.60065 7.36975 10.1474 10.2332 5.44503 7.46803 8.18023 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.84952 7.19461 6.64173 9.77747 9.01624 11.196 6.17129 6.7991 9.09234 6.76746 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 9.84952 7.19461 6.64173 10.0615 9.55105 10.1041 6.17129 6.7991 9.09234 8.92098 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 9.84952 9.77747 9.01624 7.19461 6.64173 11.196 6.17129 6.7991 6.76746 9.09234 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 9.84952 9.77747 9.01624 10.0615 9.55105 3.55187 6.17129 6.7991 6.76746 8.92098 numMergedOcc 0
20 mol 181 unq 4 iso 0 dist 9.84952 10.0615 9.55105 7.19461 6.64173 10.1041 6.17129 6.7991 8.92098 9.09234 numMergedOcc 0
21 mol 181 unq 5 iso 0 dist 9.84952 10.0615 9.55105 9.77747 9.01624 3.55187 6.17129 6.7991 8.92098 6.76746 numMergedOcc 0
22 mol 197 unq 0 iso 0 dist 8.3337 17.2264 9.10817 5.5875 9.73548 16.8666 10.7619 5.2908 9.27218 11.3514 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 9.54857 5.49348 5.85442 5.13138 6.95511 3.51848 10.5864 5.79468 6.23661 9.43105 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 6.42725 11.761 8.03219 6.09466 6.9899 8.0048 8.65525 5.31048 8.84648 6.23661 numMergedOcc 0
25 mol 259 unq 2 iso 0 dist 6.42725 6.09466 6.9899 11.761 8.03219 8.0048 8.65525 5.31048 6.23661 8.84648 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 9.65265 11.4981 6.4611 18.3627 9.30212 13.5848 10.1897 5.31116 6.66172 12.703 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 9.6898 18.4042 9.9182 14.5738 8.9221 9.43063 19.3694 9.98079 9.08193 14.1762 numMergedOcc 0
28 mol 292 unq 1 iso 0 dist 9.6898 18.4042 9.9182 14.5738 8.9221 9.43063 27.0006 18.0293 8.73515 15.6627 numMergedOcc 0
29 mol 292 unq 2 iso 0 dist 5.75596 6.65781 9.9182 4.00064 8.9221 9.43063 10.7352 9.98079 9.08193 14.1762 numMergedOcc 0
30 mol 292 unq 3 iso 0 dist 5.75596 6.65781 9.9182 4.00064 8.9221 9.43063 14.2121 18.0293 8.73515 15.6627 numMergedOcc 0
31 mol 292 unq 4 iso 0 dist 8.37867 6.65781 9.10788 4.00064 8.85064 9.43063 10.7352 10.0311 9.08193 14.1762 numMergedOcc 0
32 mol 292 unq 5 iso 0 dist 8.37867 6.65781 9.10788 4.00064 8.85064 9.43063 14.2121 10.8709 8.73515 15.6627 numMergedOcc 0
