0 mol 7 unq 0 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
1 mol 7 unq 1 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
2 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 13.591 9.48085 5.18617 12.5693 12.1492 12.8446 8.53931 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.40051 14.4191 7.17969 13.591 9.48085 5.68041 12.5693 12.1492 11.7303 8.53931 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 8.6396 5.8503 5.04899 13.591 9.49421 13.6145 12.5693 4.70708 9.43699 8.53931 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 5.02717 5.28901 7.30858 12.6105 9.42082 15.3161 13.1716 10.9739 17.6696 8.0168 numMergedOcc 0
6 mol 115 unq 1 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
7 mol 115 unq 2 iso 0 dist 5.02717 11.0268 7.88312 12.6105 9.42082 6.07067 13.1716 10.9739 12.9821 8.0168 numMergedOcc 0
8 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
9 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
10 mol 117 unq 2 iso 0 dist 6.90827 4.45276 7.0603 5.61881 8.84018 5.21535 9.58171 4.91401 10.6107 9.94053 numMergedOcc 0
11 mol 117 unq 3 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
12 mol 117 unq 4 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
13 mol 117 unq 5 iso 0 dist 8.90977 4.98254 7.0603 9.58747 8.84018 5.21535 13.2996 4.91401 10.6107 9.94053 numMergedOcc 0
14 mol 119 unq 0 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
15 mol 119 unq 1 iso 0 dist 6.18763 5.3154 6.18601 5.92411 8.95212 4.39676 13.4009 16.7975 13.4411 9.08536 numMergedOcc 0
16 mol 119 unq 2 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
17 mol 119 unq 3 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
18 mol 119 unq 4 iso 0 dist 5.63005 10.5268 8.73993 5.92411 7.64052 9.68677 10.2497 10.0197 14.0269 6.13374 numMergedOcc 0
19 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
20 mol 133 unq 0 iso 0 dist 5.82404 10.2385 6.29155 11.5628 8.77023 13.0405 15.0113 9.53782 11.3058 8.55349 numMergedOcc 0
21 mol 133 unq 1 iso 0 dist 5.82404 4.64588 6.80239 11.5628 8.77023 13.7612 15.0113 9.53782 16.0613 8.55349 numMergedOcc 0
22 mol 133 unq 2 iso 0 dist 5.82404 5.37072 8.00618 11.5628 8.77023 15.0115 15.0113 9.53782 16.3407 8.55349 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 9.60065 7.36975 13.1926 11.674 6.01455 9.27292 7.05845 numMergedOcc 0
24 mol 143 unq 1 iso 0 dist 8.30654 11.3469 5.99315 9.60065 7.36975 13.1926 10.2332 5.44503 9.93541 8.18023 numMergedOcc 0
25 mol 143 unq 2 iso 0 dist 8.30654 11.3469 5.99315 4.68518 5.40637 7.39837 10.2332 5.44503 9.93541 7.46803 numMergedOcc 0
26 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
27 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
28 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
29 mol 181 unq 3 iso 0 dist 9.84952 12.9554 7.63312 7.19461 6.64173 10.6474 6.17129 6.7991 10.1232 9.09234 numMergedOcc 0
30 mol 181 unq 4 iso 0 dist 9.84952 12.9554 7.63312 9.77747 9.01624 5.93724 6.17129 6.7991 10.1232 6.76746 numMergedOcc 0
31 mol 181 unq 5 iso 0 dist 9.84952 12.9554 7.63312 10.0615 9.55105 5.12833 6.17129 6.7991 10.1232 8.92098 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 9.51764 6.28065 9.65138 14.8375 7.46481 11.4955 11.3587 6.67959 10.852 8.70987 numMergedOcc 0
33 mol 214 unq 1 iso 0 dist 9.51764 11.2159 7.14453 14.8375 7.46481 8.459 11.3587 6.67959 12.6888 8.70987 numMergedOcc 0
34 mol 214 unq 2 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
35 mol 214 unq 3 iso 0 dist 5.36829 11.7583 9.65138 5.47184 7.46481 11.4955 10.5513 6.67959 10.852 8.70987 numMergedOcc 0
36 mol 214 unq 4 iso 0 dist 5.36829 4.98764 7.14453 5.47184 7.46481 8.459 10.5513 6.67959 12.6888 8.70987 numMergedOcc 0
37 mol 214 unq 5 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
38 mol 234 unq 0 iso 0 dist 7.86368 12.0816 9.45496 9.8663 7.81215 12.4252 10.0197 5.56749 15.004 9.11572 numMergedOcc 0
39 mol 234 unq 1 iso 0 dist 7.86368 12.0816 9.45496 9.8663 7.81215 12.4252 17.1531 15.015 21.615 9.49229 numMergedOcc 0
40 mol 234 unq 2 iso 0 dist 7.86368 12.0816 9.45496 9.8663 7.81215 12.4252 16.337 12.1076 17.6567 7.20293 numMergedOcc 0
41 mol 234 unq 3 iso 0 dist 7.86368 6.94762 6.7625 9.8663 7.81215 5.75498 10.0197 5.56749 10.8628 9.11572 numMergedOcc 0
42 mol 234 unq 4 iso 0 dist 7.86368 6.94762 6.7625 9.8663 7.81215 5.75498 17.1531 15.015 15.1691 9.49229 numMergedOcc 0
43 mol 234 unq 5 iso 0 dist 7.86368 6.94762 6.7625 9.8663 7.81215 5.75498 16.337 12.1076 12.6312 7.20293 numMergedOcc 0
44 mol 259 unq 0 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
45 mol 259 unq 1 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
46 mol 259 unq 2 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
47 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
