0 mol 7 unq 0 iso 0 dist 9.8603 14.6665 7.10621 20.1827 10.515 9.36807 16.6461 9.67164 13.156 8.81608 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 10.6104 8.41585 10.9688 6.06176 6.36911 4.7739 5.99459 6.88805 8.81608 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 17.1125 11.887 9.16962 17.1346 13.6027 8.25132 5.84066 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 6.88695 5.3315 8.34347 9.97117 7.23546 6.73162 12.2008 14.8317 7.11305 9.96121 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.02717 6.75472 5.83991 13.1716 10.9739 7.76729 12.6105 9.42082 6.63111 8.0168 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 4.98864 6.59772 6.11741 12.7883 10.8939 7.64585 12.8905 10.0255 6.95773 7.65255 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 7.95871 4.86477 6.11741 10.1292 10.8939 7.64585 11.7277 10.0255 6.95773 7.65255 numMergedOcc 0
7 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 9.58171 4.91401 6.62561 5.61881 8.84018 7.20875 9.94053 numMergedOcc 0
8 mol 117 unq 1 iso 0 dist 6.90827 5.27151 7.83136 9.58171 4.91401 7.63616 5.61881 8.84018 3.77029 9.94053 numMergedOcc 0
9 mol 117 unq 2 iso 0 dist 8.90977 13.8755 7.90328 13.2996 4.91401 6.62561 9.58747 8.84018 7.20875 9.94053 numMergedOcc 0
10 mol 117 unq 3 iso 0 dist 8.90977 10.6616 7.83136 13.2996 4.91401 7.63616 9.58747 8.84018 3.77029 9.94053 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 6.18763 5.3154 6.18601 10.2497 10.3457 8.43904 5.92411 8.95212 4.39676 6.13374 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 8.44385 12.1192 9.87172 10.2497 6.35763 6.19042 5.92411 6.99446 6.20019 6.13374 numMergedOcc 0
13 mol 119 unq 2 iso 0 dist 8.44385 12.1192 9.87172 13.4009 7.36192 7.44174 15.5571 11.2897 12.4621 6.55202 numMergedOcc 0
14 mol 119 unq 3 iso 0 dist 8.44385 12.1192 9.87172 13.4009 7.36192 7.44174 5.92411 6.99446 6.20019 9.08536 numMergedOcc 0
15 mol 119 unq 4 iso 0 dist 5.63005 10.5268 8.73993 13.4009 10.6679 9.63176 15.5571 12.31 6.9194 6.55202 numMergedOcc 0
16 mol 119 unq 5 iso 0 dist 5.63005 10.5268 8.73993 13.4009 10.6679 9.63176 5.92411 7.64052 9.68677 9.08536 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 9.50322 5.37072 7.11802 11.5756 4.68409 7.92688 19.4466 13.5288 14.8533 9.10003 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 5.82404 5.37072 8.00618 11.5756 12.2037 7.92688 19.4466 20.9604 14.8533 9.10003 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 6.17129 6.7991 4.93785 7.19461 6.64173 6.8757 9.09234 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 9.84952 4.3158 7.81386 6.17129 6.7991 4.93785 9.77747 9.01624 5.71898 6.76746 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 9.84952 4.3158 7.81386 6.17129 6.7991 4.93785 10.0615 9.55105 5.83796 8.92098 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 9.51764 6.53326 8.85478 11.3587 6.67959 7.46831 14.8375 7.46481 11.1534 8.70987 numMergedOcc 0
23 mol 214 unq 1 iso 0 dist 5.36829 12.3481 8.85478 10.5513 6.67959 7.46831 5.47184 7.46481 11.1534 8.70987 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 16.431 9.13836 8.17891 13.9099 10.3016 4.1511 7.79951 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 8.48065 5.23741 5.4638 14.8164 9.66021 9.58736 18.3679 13.8176 13.7306 7.02029 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 6.24928 5.33567 6.57393 8.81534 6.20606 5.38637 16.1646 14.7404 13.378 9.38131 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 8.06771 9.79538 7.88519 13.1236 11.6195 7.48005 9.99649 14.2242 10.282 8.84648 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 8.06771 9.79538 7.88519 13.1236 11.6195 7.48005 10.0741 10.3406 10.067 6.23661 numMergedOcc 0
29 mol 259 unq 2 iso 0 dist 9.54857 15.3806 7.46176 10.5864 5.79468 7.48005 12.2785 11.7465 10.282 8.84648 numMergedOcc 0
30 mol 259 unq 3 iso 0 dist 9.54857 15.3806 7.46176 10.5864 5.79468 7.48005 5.49348 5.85442 10.067 6.23661 numMergedOcc 0
31 mol 259 unq 4 iso 0 dist 6.42725 8.70769 5.30224 8.65525 5.31048 8.37865 11.761 8.03219 4.04513 8.84648 numMergedOcc 0
32 mol 259 unq 5 iso 0 dist 6.42725 8.70769 5.30224 8.65525 5.31048 8.37865 6.09466 6.9899 7.09907 6.23661 numMergedOcc 0
33 mol 272 unq 0 iso 0 dist 9.64596 5.26991 8.48753 11.6311 6.64985 7.67853 3.7218 6.44147 5.12237 8.84523 numMergedOcc 0
34 mol 272 unq 1 iso 0 dist 9.64596 5.26991 8.48753 11.6311 6.64985 7.67853 10.2563 11.4951 5.41667 6.95241 numMergedOcc 0
