0 mol 7 unq 0 iso 0 dist 9.8603 16.6461 9.67164 20.1827 10.515 8.81608 15.8072 8.72114 5.5683 9.97624 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 4.7739 5.99459 10.9688 6.06176 8.81608 10.1958 10.3148 5.5683 9.97624 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.40051 13.591 9.48085 12.5693 12.1492 8.53931 16.0077 13.8469 5.38592 6.63839 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.6396 13.591 9.49421 12.5693 4.70708 8.53931 16.0077 9.01548 5.38592 6.63839 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.1599 5.46563 6.9103 8.84323 5.49555 9.1062 7.46975 4.74544 4.09232 6.04903 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 9.46247 3.77705 8.3733 5.70192 10.331 8.96498 4.31746 11.6703 5.26394 9.0008 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 9.71952 6.69911 8.13108 14.6648 10.963 9.4866 16.7675 13.9633 10.1364 7.03226 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 7.28257 3.94216 8.13108 12.6331 10.963 9.4866 13.8334 13.9633 10.1364 7.03226 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 5.02717 12.6105 9.42082 13.1716 10.9739 8.0168 20.1952 17.0848 10.3264 7.70313 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 6.18763 5.92411 8.95212 13.4009 16.7975 9.08536 20.1338 22.9076 14.9264 7.26955 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 8.44385 5.92411 6.99446 13.4009 7.36192 9.08536 20.1338 14.2293 14.9264 7.26955 numMergedOcc 0
11 mol 119 unq 2 iso 0 dist 5.63005 5.92411 7.64052 13.4009 10.6679 9.08536 20.1338 17.9198 14.9264 7.26955 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 5.82404 11.5628 8.77023 15.0113 9.53782 8.55349 18.7903 14.4764 11.4316 7.41399 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 5.82404 11.5628 8.77023 15.0113 9.53782 8.55349 16.7326 12.7901 12.3375 8.21165 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 5.82404 11.5628 8.77023 15.0113 9.53782 8.55349 14.6925 11.8524 4.10674 8.97945 numMergedOcc 0
15 mol 133 unq 3 iso 0 dist 5.82404 11.5628 8.77023 15.0113 9.53782 8.55349 14.5316 10.9581 6.24625 9.50664 numMergedOcc 0
16 mol 133 unq 4 iso 0 dist 5.82404 11.5628 8.77023 15.0113 9.53782 8.55349 16.8634 12.5696 6.11861 6.71555 numMergedOcc 0
17 mol 143 unq 0 iso 0 dist 8.30654 9.60065 7.36975 11.674 6.01455 7.05845 11.6678 7.78652 12.207 6.46089 numMergedOcc 0
18 mol 143 unq 1 iso 0 dist 8.30654 9.60065 7.36975 10.2332 5.44503 8.18023 6.01193 9.14266 13.1214 9.30424 numMergedOcc 0
19 mol 143 unq 2 iso 0 dist 8.30654 4.68518 5.40637 10.2332 5.44503 7.46803 6.01193 9.14266 4.06908 9.30424 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 9.84952 7.19461 6.64173 6.17129 6.7991 9.09234 6.78739 5.94469 4.98436 7.05653 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 9.84952 9.77747 9.01624 6.17129 6.7991 6.76746 6.78739 5.94469 11.9796 7.05653 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 9.84952 10.0615 9.55105 6.17129 6.7991 8.92098 6.78739 5.94469 12.3589 7.05653 numMergedOcc 0
23 mol 181 unq 3 iso 0 dist 7.41378 4.76079 5.05973 5.83596 8.35755 6.76746 11.3693 14.8638 11.9796 7.05653 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 9.54857 5.49348 5.85442 10.5864 5.79468 6.23661 8.74892 7.08526 4.47425 8.71497 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 6.42725 11.761 8.03219 8.65525 5.31048 8.84648 10.444 10.4552 7.57379 8.71497 numMergedOcc 0
26 mol 259 unq 2 iso 0 dist 6.42725 6.09466 6.9899 8.65525 5.31048 6.23661 10.444 10.4552 4.47425 8.71497 numMergedOcc 0
27 mol 267 unq 0 iso 0 dist 9.62043 8.3484 7.34981 11.2069 6.45566 5.08174 4.6536 10.2761 5.68457 9.01354 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 9.65265 11.4981 6.4611 10.1897 5.31116 6.66172 16.4882 10.5387 5.39432 9.20749 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 9.6898 18.4042 9.9182 27.0006 18.0293 8.73515 27.1013 19.2773 9.40023 5.7131 numMergedOcc 0
30 mol 292 unq 1 iso 0 dist 5.75596 6.65781 9.9182 14.2121 18.0293 8.73515 15.2265 19.2773 9.40023 5.7131 numMergedOcc 0
31 mol 292 unq 2 iso 0 dist 8.37867 6.65781 9.10788 14.2121 10.8709 8.73515 15.2265 14.6101 9.40023 5.7131 numMergedOcc 0
