0 mol 7 unq 0 iso 0 dist 9.8603 14.6665 7.10621 16.6461 9.67164 13.156 20.1368 10.789 7.31201 14.144 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.8603 14.6665 7.10621 16.6461 9.67164 13.156 20.1827 10.515 9.36807 8.81608 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.51421 10.6104 8.41585 4.7739 5.99459 6.88805 10.9688 6.06176 6.36911 8.81608 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 7.63928 6.17631 6.03987 4.88495 7.99919 4.77954 13.4756 10.3635 7.685 12.201 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 4.99692 9.22598 9.87158 11.074 10.2241 9.58673 15.7229 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 4.88613 5.40367 6.35756 4.99692 8.96727 9.87158 11.074 7.05413 9.58673 15.7229 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 4.88613 5.40367 6.35756 3.70586 8.01308 5.86526 11.074 7.05413 9.58673 12.8612 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 6.58793 9.21014 6.19965 6.97936 7.7068 4.41789 14.6315 11.6116 9.47876 10.7558 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 6.58793 7.83419 7.66905 6.97936 7.7068 5.59906 14.6315 11.6116 7.22293 10.7558 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 9.72689 13.7794 9.36773 10.0429 7.80898 12.1193 16.3169 6.95868 9.2603 12.9048 numMergedOcc 0
10 mol 88 unq 1 iso 0 dist 7.74197 4.0486 9.36773 11.151 7.80898 12.1193 5.82918 6.95868 9.2603 12.9048 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 4.57067 6.04595 5.03039 15.8125 11.3902 8.66155 13.0432 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 5.02717 6.75472 5.83991 5.33827 7.69765 4.48636 13.1716 10.9739 7.76729 10.1174 numMergedOcc 0
13 mol 115 unq 2 iso 0 dist 5.02717 6.75472 5.83991 12.6105 9.42082 6.63111 13.1716 10.9739 7.76729 8.0168 numMergedOcc 0
14 mol 115 unq 3 iso 0 dist 5.02717 11.0268 7.88312 5.33827 7.69765 11.835 14.0848 11.7126 6.99777 16.7897 numMergedOcc 0
15 mol 115 unq 4 iso 0 dist 5.02717 11.0268 7.88312 5.33827 7.69765 11.835 9.26862 4.62962 9.14376 12.0921 numMergedOcc 0
16 mol 115 unq 5 iso 0 dist 5.02717 11.0268 7.88312 12.6105 9.42082 6.07067 14.0848 11.7126 6.99777 12.9982 numMergedOcc 0
17 mol 115 unq 6 iso 0 dist 5.02717 11.0268 7.88312 12.6105 9.42082 6.07067 9.26862 4.62962 9.14376 10.7985 numMergedOcc 0
18 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 5.61881 8.84018 7.20875 9.58171 4.91401 6.62561 9.94053 numMergedOcc 0
19 mol 117 unq 1 iso 0 dist 6.90827 5.27151 7.83136 5.61881 8.84018 3.77029 9.58171 4.91401 7.63616 9.94053 numMergedOcc 0
20 mol 117 unq 2 iso 0 dist 8.90977 13.8755 7.90328 9.58747 8.84018 7.20875 13.2996 4.91401 6.62561 9.94053 numMergedOcc 0
21 mol 117 unq 3 iso 0 dist 8.90977 10.6616 7.83136 9.58747 8.84018 3.77029 13.2996 4.91401 7.63616 9.94053 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 6.18763 5.3154 6.18601 5.92411 8.95212 4.39676 12.0315 9.35964 9.80862 9.56225 numMergedOcc 0
23 mol 119 unq 1 iso 0 dist 6.18763 5.3154 6.18601 5.92411 8.95212 4.39676 10.2497 10.3457 8.43904 6.13374 numMergedOcc 0
24 mol 119 unq 2 iso 0 dist 8.44385 12.1192 9.87172 5.92411 6.99446 6.20019 16.7922 11.7228 9.38288 12.4009 numMergedOcc 0
25 mol 119 unq 3 iso 0 dist 8.44385 12.1192 9.87172 5.92411 6.99446 6.20019 10.2497 6.35763 6.19042 6.13374 numMergedOcc 0
26 mol 119 unq 4 iso 0 dist 8.44385 12.1192 9.87172 5.92411 6.99446 6.20019 13.4009 7.36192 7.44174 9.08536 numMergedOcc 0
27 mol 119 unq 5 iso 0 dist 5.63005 10.5268 8.73993 5.92411 7.64052 9.68677 13.4009 10.6679 9.63176 9.08536 numMergedOcc 0
28 mol 127 unq 0 iso 0 dist 9.42513 8.60326 9.30299 8.71432 6.08673 12.8087 16.2351 14.085 8.59981 17.7403 numMergedOcc 0
29 mol 127 unq 1 iso 0 dist 9.42513 8.60326 9.30299 8.71432 6.08673 12.8087 13.306 13.1312 7.34519 17.9198 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 5.82404 5.37072 8.00618 11.5628 8.77023 15.0115 11.5756 12.2037 7.92688 16.243 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 7.19461 6.64173 6.8757 6.17129 6.7991 4.93785 9.09234 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 9.84952 4.3158 7.81386 9.77747 9.01624 5.71898 6.17129 6.7991 4.93785 6.76746 numMergedOcc 0
33 mol 181 unq 2 iso 0 dist 9.84952 4.3158 7.81386 10.0615 9.55105 5.83796 6.17129 6.7991 4.93785 8.92098 numMergedOcc 0
34 mol 181 unq 3 iso 0 dist 9.84952 12.9554 7.63312 7.19461 6.64173 10.6474 14.2389 4.80231 6.93764 10.9785 numMergedOcc 0
35 mol 181 unq 4 iso 0 dist 9.84952 12.9554 7.63312 9.77747 9.01624 5.93724 14.2389 4.80231 6.93764 10.1634 numMergedOcc 0
36 mol 181 unq 5 iso 0 dist 9.84952 12.9554 7.63312 10.0615 9.55105 5.12833 14.2389 4.80231 6.93764 10.9567 numMergedOcc 0
37 mol 214 unq 0 iso 0 dist 9.51764 6.53326 8.85478 14.8375 7.46481 11.1534 11.3587 6.67959 7.46831 8.70987 numMergedOcc 0
38 mol 214 unq 1 iso 0 dist 5.36829 12.3481 8.85478 5.47184 7.46481 11.1534 10.5513 6.67959 7.46831 8.70987 numMergedOcc 0
39 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 4.91709 5.56538 6.84862 7.35476 12.2813 6.82208 11.8745 numMergedOcc 0
40 mol 222 unq 1 iso 0 dist 7.85877 4.82768 7.21333 5.96186 7.48954 9.53117 7.35476 12.2813 6.82208 12.9858 numMergedOcc 0
41 mol 259 unq 0 iso 0 dist 8.06771 9.79538 7.88519 9.0675 9.46361 11.6988 13.1236 11.6195 7.48005 9.43105 numMergedOcc 0
42 mol 259 unq 1 iso 0 dist 9.54857 15.3806 7.46176 5.49348 5.85442 10.067 10.5864 5.79468 7.48005 6.23661 numMergedOcc 0
43 mol 259 unq 2 iso 0 dist 9.54857 15.3806 7.46176 5.13138 6.95511 11.6988 10.5864 5.79468 7.48005 9.43105 numMergedOcc 0
44 mol 259 unq 3 iso 0 dist 6.42725 8.70769 5.30224 11.761 8.03219 4.04513 8.65525 5.31048 8.37865 8.84648 numMergedOcc 0
45 mol 259 unq 4 iso 0 dist 6.42725 8.70769 5.30224 6.09466 6.9899 7.09907 8.65525 5.31048 8.37865 6.23661 numMergedOcc 0
46 mol 272 unq 0 iso 0 dist 9.64596 5.26991 8.48753 3.7218 6.44147 5.12237 11.6311 6.64985 7.67853 8.84523 numMergedOcc 0
