0 mol 16 unq 0 iso 0 dist 9.04834 8.17898 10.2656 6.05535 4.7319 11.0958 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.17898 9.04834 10.2656 5.72175 5.05803 11.6856 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.84393 7.78708 8.01051 9.01721 7.82074 14.2684 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 5.87895 9.57974 4.87334 5.75653 7.36323 11.5038 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.10915 7.02352 9.21892 9.73304 9.67592 13.3406 numMergedOcc 0
5 mol 71 unq 0 iso 0 dist 8.21553 8.22762 7.16971 5.87956 7.38797 11.7839 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 4.24428 6.30194 5.7113 6.58444 5.93252 11.379 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 6.30194 4.24428 5.7113 10.5627 6.19304 11.4799 numMergedOcc 0
8 mol 75 unq 0 iso 0 dist 7.118 8.24814 5.64643 5.06305 7.79912 8.56639 numMergedOcc 0
9 mol 75 unq 1 iso 0 dist 8.24814 7.118 5.64643 5.06305 8.56639 7.79912 numMergedOcc 0
10 mol 102 unq 0 iso 0 dist 9.0361 7.48277 9.15076 7.49575 7.36792 12.0341 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 9.43616 8.35164 4.8896 10.746 7.71338 11.5121 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 7.44784 9.56867 11.5723 7.64822 7.30858 7.88312 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 9.56867 7.44784 11.5723 9.97256 6.11741 13.8473 numMergedOcc 0
14 mol 115 unq 2 iso 0 dist 9.56867 7.44784 11.5723 7.64822 7.88312 7.30858 numMergedOcc 0
15 mol 115 unq 3 iso 0 dist 8.93552 8.35604 10.2788 6.07331 4.99221 11.5333 numMergedOcc 0
16 mol 115 unq 4 iso 0 dist 8.35604 8.93552 10.2788 5.3967 5.11551 11.2489 numMergedOcc 0
17 mol 115 unq 5 iso 0 dist 8.35604 8.93552 10.2788 11.9798 7.11972 16.1842 numMergedOcc 0
18 mol 115 unq 6 iso 0 dist 6.20658 7.83568 10.2788 7.09627 4.99221 11.5333 numMergedOcc 0
19 mol 115 unq 7 iso 0 dist 7.83568 6.20658 10.2788 7.10772 5.11551 11.2489 numMergedOcc 0
20 mol 115 unq 8 iso 0 dist 7.83568 6.20658 10.2788 11.3906 7.11972 16.1842 numMergedOcc 0
21 mol 127 unq 0 iso 0 dist 6.65963 8.62711 7.30196 10.345 8.14887 9.30299 numMergedOcc 0
22 mol 127 unq 1 iso 0 dist 8.62711 6.65963 7.30196 10.345 9.30299 8.14887 numMergedOcc 0
23 mol 132 unq 0 iso 0 dist 6.2403 8.34869 4.35917 6.04014 7.7059 11.5751 numMergedOcc 0
24 mol 132 unq 1 iso 0 dist 6.495 9.43748 4.35917 10.0823 7.7059 11.5751 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 5.67862 7.97208 5.00817 9.52819 6.37586 6.49416 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 5.67862 7.97208 5.00817 12.4156 9.71307 12.5075 numMergedOcc 0
27 mol 134 unq 2 iso 0 dist 7.97208 5.67862 5.00817 12.5576 6.54501 9.5126 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 7.97208 5.67862 5.00817 9.52819 6.49416 6.37586 numMergedOcc 0
29 mol 175 unq 0 iso 0 dist 6.73365 9.45659 5.35493 5.73338 5.6234 6.57069 numMergedOcc 0
30 mol 175 unq 1 iso 0 dist 6.73365 9.45659 5.35493 12.753 9.92231 10.2623 numMergedOcc 0
31 mol 175 unq 2 iso 0 dist 6.73365 9.44856 9.63234 5.73338 5.6234 9.7158 numMergedOcc 0
32 mol 175 unq 3 iso 0 dist 6.73365 9.44856 9.63234 12.753 9.92231 15.8153 numMergedOcc 0
33 mol 175 unq 4 iso 0 dist 9.45659 6.73365 5.35493 5.73338 6.57069 5.6234 numMergedOcc 0
34 mol 175 unq 5 iso 0 dist 9.45659 9.44856 6.80157 5.73338 6.57069 9.7158 numMergedOcc 0
35 mol 204 unq 0 iso 0 dist 7.7292 6.27396 12.5143 13.4646 7.10633 19.1577 numMergedOcc 0
36 mol 204 unq 1 iso 0 dist 7.7292 6.27396 12.5143 9.54287 8.51516 13.8351 numMergedOcc 0
37 mol 223 unq 0 iso 0 dist 9.94212 7.34316 12.3422 11.4946 8.77153 13.3071 numMergedOcc 0
38 mol 223 unq 1 iso 0 dist 9.94212 7.34316 12.3422 13.1422 8.6166 18.1103 numMergedOcc 0
39 mol 230 unq 0 iso 0 dist 9.12305 9.30906 5.46301 9.0274 6.7547 11.5044 numMergedOcc 0
40 mol 236 unq 0 iso 0 dist 9.97357 6.36941 7.28249 8.3919 8.03456 9.81562 numMergedOcc 0
41 mol 236 unq 1 iso 0 dist 9.97357 6.36941 7.28249 4.88785 6.84306 7.68742 numMergedOcc 0
42 mol 236 unq 2 iso 0 dist 9.97357 6.36941 7.28249 10.2557 9.99038 6.27581 numMergedOcc 0
43 mol 236 unq 3 iso 0 dist 9.97357 6.36941 7.28249 14.6755 9.78037 13.499 numMergedOcc 0
44 mol 236 unq 4 iso 0 dist 9.97357 6.36941 7.28249 16.5918 8.35971 11.2141 numMergedOcc 0
45 mol 236 unq 5 iso 0 dist 6.36941 9.97357 7.28249 8.3919 9.81562 8.03456 numMergedOcc 0
46 mol 236 unq 6 iso 0 dist 6.36941 9.97357 7.28249 4.88785 7.68742 6.84306 numMergedOcc 0
47 mol 236 unq 7 iso 0 dist 6.36941 9.97357 7.28249 10.2557 6.27581 9.99038 numMergedOcc 0
48 mol 238 unq 0 iso 0 dist 7.98022 8.89538 13.0839 6.3873 5.72887 10.3007 numMergedOcc 0
49 mol 253 unq 0 iso 0 dist 7.80525 7.71295 7.25988 4.84708 7.32223 8.31064 numMergedOcc 0
50 mol 253 unq 1 iso 0 dist 7.71295 7.80525 7.25988 4.84708 8.31064 7.32223 numMergedOcc 0
51 mol 253 unq 2 iso 0 dist 7.71295 7.80525 7.25988 6.27022 6.73034 11.6434 numMergedOcc 0
52 mol 258 unq 0 iso 0 dist 7.9357 5.79537 5.30627 8.73372 6.42289 10.1675 numMergedOcc 0
53 mol 258 unq 1 iso 0 dist 8.81059 9.67877 17.2075 9.78068 6.42289 17.2071 numMergedOcc 0
54 mol 258 unq 2 iso 0 dist 8.81059 9.12006 5.30627 9.78068 6.42289 10.1675 numMergedOcc 0
55 mol 261 unq 0 iso 0 dist 7.15785 9.43169 5.51688 6.5875 8.02547 6.05727 numMergedOcc 0
56 mol 261 unq 1 iso 0 dist 9.43169 7.15785 5.51688 6.5875 6.05727 8.02547 numMergedOcc 0
57 mol 272 unq 0 iso 0 dist 4.78812 6.62923 5.40809 5.27123 8.33638 8.46116 numMergedOcc 0
58 mol 272 unq 1 iso 0 dist 6.62923 4.78812 5.40809 11.9042 9.97651 13.2494 numMergedOcc 0
59 mol 272 unq 2 iso 0 dist 6.62923 4.78812 5.40809 5.27123 8.46116 8.33638 numMergedOcc 0
60 mol 274 unq 0 iso 0 dist 8.3291 9.79674 9.12834 6.98398 9.10818 15.2761 numMergedOcc 0
61 mol 276 unq 0 iso 0 dist 5.30976 8.28881 8.56707 7.38126 9.8993 10.033 numMergedOcc 0
62 mol 276 unq 1 iso 0 dist 5.30976 8.28881 8.56707 6.39319 6.87396 12.6292 numMergedOcc 0
63 mol 277 unq 0 iso 0 dist 8.35794 9.84188 5.59609 5.77904 9.7748 12.5685 numMergedOcc 0
64 mol 282 unq 0 iso 0 dist 6.84554 9.51581 4.66602 9.67023 8.76532 6.33524 numMergedOcc 0
65 mol 282 unq 1 iso 0 dist 9.51581 6.84554 4.66602 9.67023 6.33524 8.76532 numMergedOcc 0
