0 mol 16 unq 0 iso 0 dist 8.17898 9.04834 10.2656 5.72175 5.05803 11.6856 12.0005 7.03948 16.3417 6.2983 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.84393 7.78708 8.01051 9.01721 7.82074 14.2684 6.31174 8.73972 12.3782 6.55187 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 9.10915 7.02352 9.21892 9.73304 9.67592 13.3406 12.9814 8.68586 15.6843 5.3948 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 4.24428 6.30194 5.7113 6.58444 5.93252 11.379 5.14919 5.64598 4.65521 9.77992 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.30194 4.24428 5.7113 10.5627 6.19304 11.4799 5.14919 4.65521 5.64598 7.41074 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 9.56867 7.44784 11.5723 9.97256 6.11741 13.8473 7.97477 6.99777 11.695 10.8292 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 9.56867 7.44784 11.5723 9.97256 6.11741 13.8473 6.58038 9.14376 10.0603 6.12943 numMergedOcc 0
7 mol 115 unq 2 iso 0 dist 9.56867 7.44784 11.5723 7.64822 7.88312 7.30858 7.97477 6.99777 11.695 11.7126 numMergedOcc 0
8 mol 115 unq 3 iso 0 dist 9.56867 7.44784 11.5723 7.64822 7.88312 7.30858 6.58038 9.14376 10.0603 4.62962 numMergedOcc 0
9 mol 127 unq 0 iso 0 dist 8.62711 6.65963 7.30196 10.345 9.30299 8.14887 13.376 9.81878 11.7714 4.77464 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 6.2403 8.34869 4.35917 6.04014 7.7059 11.5751 6.58856 6.03703 7.61505 9.92344 numMergedOcc 0
11 mol 132 unq 1 iso 0 dist 6.495 9.43748 4.35917 10.0823 7.7059 11.5751 10.343 6.03703 7.61505 9.92344 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 5.67862 7.97208 5.00817 9.52819 6.37586 6.49416 6.30187 5.42582 8.6355 5.41704 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 5.67862 7.97208 5.00817 12.4156 9.71307 12.5075 6.30187 5.42582 8.6355 6.17103 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 7.97208 5.67862 5.00817 12.5576 6.54501 9.5126 6.30187 8.6355 5.42582 10.1448 numMergedOcc 0
15 mol 134 unq 3 iso 0 dist 7.97208 5.67862 5.00817 9.52819 6.49416 6.37586 6.30187 8.6355 5.42582 5.41704 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 6.73365 9.45659 5.35493 5.73338 5.6234 6.57069 7.92448 9.0664 11.5506 5.28109 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 6.73365 9.45659 5.35493 12.753 9.92231 10.2623 7.92448 9.0664 11.5506 7.14477 numMergedOcc 0
18 mol 175 unq 2 iso 0 dist 6.73365 9.44856 9.63234 5.73338 5.6234 9.7158 7.92448 9.0664 14.78 5.28109 numMergedOcc 0
19 mol 175 unq 3 iso 0 dist 6.73365 9.44856 9.63234 12.753 9.92231 15.8153 7.92448 9.0664 14.78 7.14477 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 7.7292 6.27396 12.5143 13.4646 7.10633 19.1577 11.695 5.90931 16.9866 5.09262 numMergedOcc 0
21 mol 204 unq 1 iso 0 dist 7.7292 6.27396 12.5143 9.54287 8.51516 13.8351 11.695 5.90931 16.9866 12.9483 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 9.97357 6.36941 7.28249 8.3919 8.03456 9.81562 11.4732 7.17676 5.34718 11.8759 numMergedOcc 0
23 mol 236 unq 1 iso 0 dist 9.97357 6.36941 7.28249 8.3919 8.03456 9.81562 14.1057 6.68463 10.5713 9.07822 numMergedOcc 0
24 mol 236 unq 2 iso 0 dist 9.97357 6.36941 7.28249 4.88785 6.84306 7.68742 11.4732 7.17676 5.34718 11.3552 numMergedOcc 0
25 mol 236 unq 3 iso 0 dist 9.97357 6.36941 7.28249 4.88785 6.84306 7.68742 14.1057 6.68463 10.5713 11.6837 numMergedOcc 0
26 mol 236 unq 4 iso 0 dist 9.97357 6.36941 7.28249 10.2557 9.99038 6.27581 11.4732 7.17676 5.34718 6.04825 numMergedOcc 0
27 mol 236 unq 5 iso 0 dist 9.97357 6.36941 7.28249 10.2557 9.99038 6.27581 14.1057 6.68463 10.5713 8.8265 numMergedOcc 0
28 mol 236 unq 6 iso 0 dist 9.97357 6.36941 7.28249 14.6755 9.78037 13.499 11.4732 7.17676 5.34718 12.6468 numMergedOcc 0
29 mol 236 unq 7 iso 0 dist 9.97357 6.36941 7.28249 14.6755 9.78037 13.499 14.1057 6.68463 10.5713 5.80136 numMergedOcc 0
30 mol 236 unq 8 iso 0 dist 9.97357 6.36941 7.28249 16.5918 8.35971 11.2141 11.4732 7.17676 5.34718 6.40312 numMergedOcc 0
31 mol 236 unq 9 iso 0 dist 9.97357 6.36941 7.28249 16.5918 8.35971 11.2141 14.1057 6.68463 10.5713 6.2568 numMergedOcc 0
32 mol 236 unq 10 iso 0 dist 6.36941 9.97357 7.28249 8.3919 9.81562 8.03456 11.4732 5.34718 7.17676 11.8759 numMergedOcc 0
33 mol 236 unq 11 iso 0 dist 6.36941 9.97357 7.28249 4.88785 7.68742 6.84306 11.4732 5.34718 7.17676 11.3552 numMergedOcc 0
34 mol 236 unq 12 iso 0 dist 6.36941 9.97357 7.28249 10.2557 6.27581 9.99038 11.4732 5.34718 7.17676 6.04825 numMergedOcc 0
35 mol 272 unq 0 iso 0 dist 4.78812 6.62923 5.40809 5.27123 8.33638 8.46116 6.99865 6.73206 9.09992 5.63139 numMergedOcc 0
36 mol 272 unq 1 iso 0 dist 6.62923 4.78812 5.40809 11.9042 9.97651 13.2494 6.99865 9.09992 6.73206 10.841 numMergedOcc 0
37 mol 272 unq 2 iso 0 dist 6.62923 4.78812 5.40809 11.9042 9.97651 13.2494 10.3424 6.16449 10.1966 4.72202 numMergedOcc 0
38 mol 272 unq 3 iso 0 dist 6.62923 4.78812 5.40809 5.27123 8.46116 8.33638 6.99865 9.09992 6.73206 5.63139 numMergedOcc 0
39 mol 272 unq 4 iso 0 dist 6.62923 4.78812 5.40809 5.27123 8.46116 8.33638 10.3424 6.16449 10.1966 8.52877 numMergedOcc 0
40 mol 276 unq 0 iso 0 dist 5.30976 8.28881 8.56707 7.38126 9.8993 10.033 10.4141 8.76347 12.4317 7.54851 numMergedOcc 0
41 mol 276 unq 1 iso 0 dist 5.30976 8.28881 8.56707 6.39319 6.87396 12.6292 10.4141 8.76347 12.4317 6.4102 numMergedOcc 0
42 mol 282 unq 0 iso 0 dist 9.51581 6.84554 4.66602 9.67023 6.33524 8.76532 10.8603 7.32347 10.4802 6.3384 numMergedOcc 0
