0 mol 1 unq 0 iso 0 dist 6.4181 5.06184 6.86701 7.90928 5.11735 5.96833 6.35409 10.488 4.50502 8.56884 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.8603 16.6461 9.67164 20.1827 10.515 8.81608 19.4516 10.5461 6.88805 6.36911 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.8603 16.6461 9.67164 20.1827 10.515 8.81608 14.6665 7.10621 13.156 9.36807 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 5.51421 4.7739 5.99459 10.9688 6.06176 8.81608 10.6104 8.41585 6.88805 6.36911 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 5.51421 4.7739 5.99459 10.9688 6.06176 8.81608 15.637 12.2333 13.156 9.36807 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.71952 6.69911 8.13108 14.6648 10.963 9.4866 11.9403 10.0992 5.31985 6.21982 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 9.71952 6.69911 8.13108 14.6648 10.963 9.4866 21.6966 16.758 15.4159 8.19682 numMergedOcc 0
7 mol 76 unq 2 iso 0 dist 7.28257 3.94216 8.13108 12.6331 10.963 9.4866 9.03147 10.0992 5.31985 6.21982 numMergedOcc 0
8 mol 76 unq 3 iso 0 dist 7.28257 3.94216 8.13108 12.6331 10.963 9.4866 18.8543 16.758 15.4159 8.19682 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 9.10981 9.89481 8.65848 10.1762 5.22036 5.47706 8.31284 11.2771 4.77202 8.30646 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 9.10981 3.89733 7.25801 10.1762 5.22036 8.89842 8.31284 11.2771 8.12982 8.30646 numMergedOcc 0
11 mol 78 unq 2 iso 0 dist 9.23023 13.8703 6.85523 13.8574 4.92509 5.47706 18.591 11.3054 4.77202 8.30646 numMergedOcc 0
12 mol 78 unq 3 iso 0 dist 9.23023 11.9719 5.77326 13.8574 4.92509 8.07568 18.591 11.3054 11.8801 8.30646 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 5.02717 12.6105 9.42082 13.1716 10.9739 8.0168 6.75472 5.83991 6.63111 7.76729 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 6.90827 5.61881 8.84018 9.58171 4.91401 9.94053 10.4485 7.90328 7.20875 6.62561 numMergedOcc 0
15 mol 117 unq 1 iso 0 dist 6.90827 5.61881 8.84018 9.58171 4.91401 9.94053 5.27151 7.83136 3.77029 7.63616 numMergedOcc 0
16 mol 117 unq 2 iso 0 dist 8.90977 9.58747 8.84018 13.2996 4.91401 9.94053 13.8755 7.90328 7.20875 6.62561 numMergedOcc 0
17 mol 117 unq 3 iso 0 dist 8.90977 9.58747 8.84018 13.2996 4.91401 9.94053 10.6616 7.83136 3.77029 7.63616 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 6.18763 5.92411 8.95212 10.2497 10.3457 6.13374 12.1192 13.9919 6.20019 6.19042 numMergedOcc 0
19 mol 119 unq 1 iso 0 dist 6.18763 5.92411 8.95212 10.2497 10.3457 6.13374 5.3154 6.18601 4.39676 8.43904 numMergedOcc 0
20 mol 119 unq 2 iso 0 dist 6.18763 5.92411 8.95212 13.4009 16.7975 9.08536 18.9823 23.1442 14.443 7.39889 numMergedOcc 0
21 mol 119 unq 3 iso 0 dist 6.18763 5.92411 8.95212 13.4009 16.7975 9.08536 10.5268 16.4353 9.68677 9.63176 numMergedOcc 0
22 mol 119 unq 4 iso 0 dist 6.18763 5.92411 8.95212 13.4009 16.7975 9.08536 12.1192 13.9919 6.20019 7.44174 numMergedOcc 0
23 mol 119 unq 5 iso 0 dist 8.44385 5.92411 6.99446 10.2497 6.35763 6.13374 12.1192 9.87172 6.20019 6.19042 numMergedOcc 0
24 mol 119 unq 6 iso 0 dist 8.44385 5.92411 6.99446 10.2497 6.35763 6.13374 5.3154 10.1813 4.39676 8.43904 numMergedOcc 0
25 mol 119 unq 7 iso 0 dist 8.44385 5.92411 6.99446 13.4009 7.36192 9.08536 18.9823 14.5183 14.443 7.39889 numMergedOcc 0
26 mol 119 unq 8 iso 0 dist 8.44385 5.92411 6.99446 13.4009 7.36192 9.08536 10.5268 10.3704 9.68677 9.63176 numMergedOcc 0
27 mol 119 unq 9 iso 0 dist 8.44385 5.92411 6.99446 13.4009 7.36192 9.08536 12.1192 9.87172 6.20019 7.44174 numMergedOcc 0
28 mol 119 unq 10 iso 0 dist 5.63005 5.92411 7.64052 10.2497 10.0197 6.13374 12.1192 12.6489 6.20019 6.19042 numMergedOcc 0
29 mol 119 unq 11 iso 0 dist 5.63005 5.92411 7.64052 10.2497 10.0197 6.13374 5.3154 9.72413 4.39676 8.43904 numMergedOcc 0
30 mol 119 unq 12 iso 0 dist 5.63005 5.92411 7.64052 13.4009 10.6679 9.08536 18.9823 16.7981 14.443 7.39889 numMergedOcc 0
31 mol 119 unq 13 iso 0 dist 5.63005 5.92411 7.64052 13.4009 10.6679 9.08536 10.5268 8.73993 9.68677 9.63176 numMergedOcc 0
32 mol 119 unq 14 iso 0 dist 5.63005 5.92411 7.64052 13.4009 10.6679 9.08536 12.1192 12.6489 6.20019 7.44174 numMergedOcc 0
33 mol 143 unq 0 iso 0 dist 8.30654 9.60065 7.36975 11.674 6.01455 7.05845 10.7447 10.6877 7.63293 7.31468 numMergedOcc 0
34 mol 143 unq 1 iso 0 dist 8.30654 9.60065 7.36975 11.674 6.01455 7.05845 14.8091 12.7524 11.903 7.7056 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 9.84952 7.19461 6.64173 6.17129 6.7991 9.09234 4.3158 7.81386 6.8757 4.93785 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 9.84952 9.77747 9.01624 6.17129 6.7991 6.76746 4.3158 7.81386 5.71898 4.93785 numMergedOcc 0
37 mol 181 unq 2 iso 0 dist 9.84952 10.0615 9.55105 6.17129 6.7991 8.92098 4.3158 7.81386 5.83796 4.93785 numMergedOcc 0
38 mol 181 unq 3 iso 0 dist 7.41378 4.76079 5.05973 5.83596 8.35755 6.76746 4.3226 9.81747 5.71898 4.93785 numMergedOcc 0
39 mol 197 unq 0 iso 0 dist 8.3337 17.2264 9.10817 10.7619 5.2908 9.27218 13.0113 11.6759 17.0276 8.99696 numMergedOcc 0
40 mol 214 unq 0 iso 0 dist 9.51764 14.8375 7.46481 11.3587 6.67959 8.70987 6.53326 8.85478 11.1534 7.46831 numMergedOcc 0
41 mol 214 unq 1 iso 0 dist 9.51764 14.8375 7.46481 11.3587 6.67959 8.70987 16.3046 11.9355 7.19184 8.60247 numMergedOcc 0
42 mol 214 unq 2 iso 0 dist 5.36829 5.47184 7.46481 10.5513 6.67959 8.70987 12.3481 8.85478 11.1534 7.46831 numMergedOcc 0
43 mol 214 unq 3 iso 0 dist 5.36829 5.47184 7.46481 10.5513 6.67959 8.70987 12.3216 11.9355 7.19184 8.60247 numMergedOcc 0
44 mol 234 unq 0 iso 0 dist 7.86368 9.8663 7.81215 10.0197 5.56749 9.11572 16.1672 10.3625 13.1872 6.16063 numMergedOcc 0
45 mol 259 unq 0 iso 0 dist 9.54857 5.49348 5.85442 10.5864 5.79468 6.23661 15.3806 7.46176 10.067 7.48005 numMergedOcc 0
46 mol 259 unq 1 iso 0 dist 9.54857 5.49348 5.85442 10.5864 5.79468 6.23661 10.0253 11.858 7.09907 8.37865 numMergedOcc 0
47 mol 259 unq 2 iso 0 dist 6.42725 11.761 8.03219 8.65525 5.31048 8.84648 15.0854 12.0576 10.282 7.48005 numMergedOcc 0
48 mol 259 unq 3 iso 0 dist 6.42725 11.761 8.03219 8.65525 5.31048 8.84648 8.70769 5.30224 4.04513 8.37865 numMergedOcc 0
49 mol 259 unq 4 iso 0 dist 6.42725 6.09466 6.9899 8.65525 5.31048 6.23661 15.0854 12.0576 10.067 7.48005 numMergedOcc 0
50 mol 259 unq 5 iso 0 dist 6.42725 6.09466 6.9899 8.65525 5.31048 6.23661 8.70769 5.30224 7.09907 8.37865 numMergedOcc 0
51 mol 267 unq 0 iso 0 dist 9.62043 8.3484 7.34981 11.2069 6.45566 5.08174 13.5776 14.4611 9.22276 8.76007 numMergedOcc 0
52 mol 272 unq 0 iso 0 dist 9.64596 3.7218 6.44147 11.6311 6.64985 8.84523 5.26991 8.48753 5.12237 7.67853 numMergedOcc 0
53 mol 274 unq 0 iso 0 dist 9.65265 11.4981 6.4611 10.1897 5.31116 6.66172 18.6665 10.7806 8.87855 9.19234 numMergedOcc 0
