0 mol 9 unq 0 iso 0 dist 8.77049 11.3797 6.33889 12.8762 11.4878 8.57077 10.8503 12.6418 8.69454 8.55451 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.77049 11.3797 6.33889 12.8762 11.4878 8.57077 9.99243 9.81658 5.84314 5.8245 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 6.95341 11.7623 6.33889 13.0231 11.4878 8.57077 14.0938 12.6418 8.69454 8.55451 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 6.95341 11.7623 6.33889 13.0231 11.4878 8.57077 12.0088 9.81658 5.84314 5.8245 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 5.82918 4.0486 9.2603 7.74197 6.95868 9.36773 11.151 12.9048 12.1193 7.80898 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 5.58063 5.24961 7.64585 12.5192 10.2377 9.33865 8.29196 7.65255 6.95773 6.24825 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 9.58171 10.4485 6.62561 6.90827 4.91401 7.90328 5.61881 9.94053 7.20875 8.84018 numMergedOcc 0
7 mol 117 unq 1 iso 0 dist 9.58171 5.27151 7.63616 6.90827 4.91401 7.83136 5.61881 9.94053 3.77029 8.84018 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.95838 5.85391 9.63176 13.3689 10.6679 8.73993 11.2265 9.08536 9.68677 7.64052 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 8.95838 11.0075 7.44174 13.2232 7.36192 9.87172 11.2265 9.08536 6.20019 6.99446 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 9.47892 18.2257 9.63176 19.5006 10.6679 8.73993 15.453 9.08536 9.68677 7.64052 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 9.47892 9.93013 7.44174 15.3808 7.36192 9.87172 15.453 9.08536 6.20019 6.99446 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 9.16944 5.01118 9.17284 10.6879 6.3437 7.46303 13.6883 13.5963 9.16779 8.97626 numMergedOcc 0
13 mol 155 unq 1 iso 0 dist 7.50392 4.94973 9.38946 11.1867 12.8482 6.43582 5.68679 7.29911 4.91785 8.97626 numMergedOcc 0
14 mol 155 unq 2 iso 0 dist 8.02593 9.80448 7.36102 12.6683 8.27726 6.43582 5.05961 5.36254 4.91785 8.97626 numMergedOcc 0
15 mol 155 unq 3 iso 0 dist 8.77391 4.94973 7.36102 11.1867 8.27726 6.43582 5.68679 5.36254 4.91785 8.97626 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 8.45395 9.47799 6.94688 9.86845 6.25083 9.1374 17.3349 14.5897 12.9532 9.76212 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 9.15368 9.09989 6.94688 12.5284 6.25083 9.1374 19.6641 14.5897 12.9532 9.76212 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 9.20477 4.98009 6.94688 12.0593 6.25083 9.1374 16.7738 14.5897 12.9532 9.76212 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 5.41368 9.47799 6.71012 9.86845 4.77278 9.1374 17.3349 12.3788 12.9532 9.76212 numMergedOcc 0
20 mol 181 unq 4 iso 0 dist 7.96182 9.09989 6.71012 12.5284 4.77278 9.1374 19.6641 12.3788 12.9532 9.76212 numMergedOcc 0
21 mol 181 unq 5 iso 0 dist 7.90237 4.98009 6.71012 12.0593 4.77278 9.1374 16.7738 12.3788 12.9532 9.76212 numMergedOcc 0
22 mol 181 unq 6 iso 0 dist 6.17129 4.3158 4.93785 9.84952 6.7991 7.81386 7.19461 9.09234 6.8757 6.64173 numMergedOcc 0
23 mol 181 unq 7 iso 0 dist 6.17129 4.3158 4.93785 9.84952 6.7991 7.81386 9.77747 6.76746 5.71898 9.01624 numMergedOcc 0
24 mol 181 unq 8 iso 0 dist 6.17129 4.3158 4.93785 9.84952 6.7991 7.81386 10.0615 8.92098 5.83796 9.55105 numMergedOcc 0
25 mol 181 unq 9 iso 0 dist 5.83596 4.3226 4.93785 10.8641 6.7991 7.81386 11.195 9.09234 6.8757 6.64173 numMergedOcc 0
26 mol 181 unq 10 iso 0 dist 5.83596 4.3226 4.93785 10.8641 6.7991 7.81386 4.76079 6.76746 5.71898 9.01624 numMergedOcc 0
27 mol 181 unq 11 iso 0 dist 5.83596 4.3226 4.93785 10.8641 6.7991 7.81386 6.38851 8.92098 5.83796 9.55105 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 7.35476 4.82768 6.82208 7.85877 12.2813 7.21333 4.91709 11.8745 6.84862 5.56538 numMergedOcc 0
29 mol 222 unq 1 iso 0 dist 7.35476 4.82768 6.82208 7.85877 12.2813 7.21333 5.96186 12.9858 9.53117 7.48954 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 9.94175 14.9782 6.55759 13.9196 10.4664 7.31233 17.7555 14.4363 11.0772 9.08509 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 8.81534 9.85437 6.55759 11.3074 10.4664 7.31233 19.2189 14.4363 11.0772 9.08509 numMergedOcc 0
32 mol 238 unq 2 iso 0 dist 9.46582 9.23693 7.67322 14.9617 12.6986 7.31233 15.9221 9.99105 11.0772 9.08509 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 9.53092 4.77548 7.48005 12.348 11.6195 7.88519 15.0569 9.43105 11.6988 9.46361 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 9.53092 4.77548 7.48005 11.6963 5.79468 7.46176 12.9171 6.23661 10.067 5.85442 numMergedOcc 0
35 mol 259 unq 2 iso 0 dist 9.53092 4.77548 7.48005 11.6963 5.79468 7.46176 15.0569 9.43105 11.6988 6.95511 numMergedOcc 0
36 mol 259 unq 3 iso 0 dist 9.53092 12.7699 8.37865 12.9189 5.31048 5.30224 9.92544 8.84648 4.04513 8.03219 numMergedOcc 0
37 mol 259 unq 4 iso 0 dist 9.53092 12.7699 8.37865 12.9189 5.31048 5.30224 12.9171 6.23661 7.09907 6.9899 numMergedOcc 0
