0 mol 7 unq 0 iso 0 dist 7.5706 6.7985 5.82034 8.43473 6.04832 6.14469 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.5706 6.44736 5.28462 8.43473 6.04832 9.97009 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.28925 9.68596 5.82034 5.03847 6.04832 6.14469 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 7.47838 9.47063 7.25546 11.8617 7.2707 10.6404 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 7.47838 9.47063 7.25546 9.55673 8.99816 11.7718 numMergedOcc 0
5 mol 9 unq 2 iso 0 dist 7.47838 9.47063 7.25546 6.96891 5.96667 10.9812 numMergedOcc 0
6 mol 9 unq 3 iso 0 dist 6.79837 6.55811 9.84125 5.60698 9.36902 10.6404 numMergedOcc 0
7 mol 9 unq 4 iso 0 dist 6.79837 7.36018 6.12805 5.60698 9.36902 11.7718 numMergedOcc 0
8 mol 9 unq 5 iso 0 dist 6.79837 8.48677 7.26017 5.60698 9.36902 10.9812 numMergedOcc 0
9 mol 9 unq 6 iso 0 dist 8.07369 8.64915 9.84125 10.0989 9.36902 10.6404 numMergedOcc 0
10 mol 9 unq 7 iso 0 dist 8.07369 8.17347 6.12805 10.0989 9.36902 11.7718 numMergedOcc 0
11 mol 9 unq 8 iso 0 dist 8.07369 7.83133 6.78475 10.0989 9.36902 14.8539 numMergedOcc 0
12 mol 15 unq 0 iso 0 dist 7.876 7.48342 6.25997 9.64147 7.38744 10.4058 numMergedOcc 0
13 mol 15 unq 1 iso 0 dist 7.876 7.48342 6.25997 4.29582 9.41935 6.03257 numMergedOcc 0
14 mol 20 unq 0 iso 0 dist 9.8099 7.51452 5.095 10.0815 6.85224 5.86181 numMergedOcc 0
15 mol 20 unq 1 iso 0 dist 9.8099 7.51452 5.095 13.457 8.04657 6.3253 numMergedOcc 0
16 mol 20 unq 2 iso 0 dist 9.8099 6.03547 11.0764 10.0815 6.85224 11.6953 numMergedOcc 0
17 mol 20 unq 3 iso 0 dist 9.8099 6.03547 11.0764 13.457 8.04657 10.6446 numMergedOcc 0
18 mol 21 unq 0 iso 0 dist 9.35137 9.06424 4.8139 10.6971 6.61889 11.0806 numMergedOcc 0
19 mol 30 unq 0 iso 0 dist 5.61656 7.12365 6.10786 6.10646 8.28062 11.7632 numMergedOcc 0
20 mol 30 unq 1 iso 0 dist 5.61656 7.12365 6.10786 7.0381 6.90201 11.1804 numMergedOcc 0
21 mol 30 unq 2 iso 0 dist 7.22242 7.12365 8.35022 6.10646 6.31246 11.7632 numMergedOcc 0
22 mol 30 unq 3 iso 0 dist 6.95343 8.1284 6.10786 10.7121 8.28062 11.7632 numMergedOcc 0
23 mol 30 unq 4 iso 0 dist 6.95343 8.1284 6.10786 4.94076 6.90201 11.1804 numMergedOcc 0
24 mol 54 unq 0 iso 0 dist 9.22021 6.14538 11.3729 9.96705 7.04671 13.4677 numMergedOcc 0
25 mol 92 unq 0 iso 0 dist 7.48658 8.18107 10.5097 8.70803 9.81484 15.4529 numMergedOcc 0
26 mol 92 unq 1 iso 0 dist 7.48658 8.18107 10.5097 9.52327 5.77527 13.7988 numMergedOcc 0
27 mol 92 unq 2 iso 0 dist 7.48658 8.18107 10.5097 13.093 7.313 17.7463 numMergedOcc 0
28 mol 92 unq 3 iso 0 dist 7.48658 5.9465 6.60364 8.70803 9.81484 6.77241 numMergedOcc 0
29 mol 92 unq 4 iso 0 dist 7.48658 5.9465 6.60364 9.52327 5.77527 5.50508 numMergedOcc 0
30 mol 92 unq 5 iso 0 dist 7.48658 5.9465 6.60364 13.093 7.313 11.2428 numMergedOcc 0
31 mol 92 unq 6 iso 0 dist 7.20279 9.95342 6.60364 7.52639 9.81484 6.77241 numMergedOcc 0
32 mol 92 unq 7 iso 0 dist 7.20279 9.95342 6.60364 7.34683 5.77527 5.50508 numMergedOcc 0
33 mol 92 unq 8 iso 0 dist 7.20279 9.95342 6.60364 5.96752 7.313 11.2428 numMergedOcc 0
34 mol 100 unq 0 iso 0 dist 4.5985 7.80975 4.71426 6.12107 8.95014 12.71 numMergedOcc 0
35 mol 100 unq 1 iso 0 dist 4.5985 7.80975 4.71426 5.42531 6.84692 9.5057 numMergedOcc 0
36 mol 100 unq 2 iso 0 dist 4.5985 7.80975 4.71426 4.86592 5.74152 5.75014 numMergedOcc 0
37 mol 100 unq 3 iso 0 dist 8.20656 7.10378 4.71426 12.5531 8.95014 12.71 numMergedOcc 0
38 mol 100 unq 4 iso 0 dist 8.20656 7.10378 4.71426 8.4128 6.84692 9.5057 numMergedOcc 0
39 mol 100 unq 5 iso 0 dist 8.20656 7.10378 4.71426 7.96533 5.74152 5.75014 numMergedOcc 0
40 mol 133 unq 0 iso 0 dist 9.64695 9.22232 15.8925 12.538 6.49688 16.4974 numMergedOcc 0
41 mol 133 unq 1 iso 0 dist 9.64695 9.22661 12.4336 12.538 6.49688 16.5277 numMergedOcc 0
42 mol 133 unq 2 iso 0 dist 9.64695 7.56378 9.98416 12.538 6.49688 15.724 numMergedOcc 0
43 mol 181 unq 0 iso 0 dist 8.47008 5.94469 11.0205 5.63555 6.2176 10.3104 numMergedOcc 0
44 mol 206 unq 0 iso 0 dist 4.90825 7.29285 7.77719 4.51687 5.80674 10.334 numMergedOcc 0
45 mol 206 unq 1 iso 0 dist 5.52084 6.16414 9.78738 4.62682 5.80674 10.7298 numMergedOcc 0
46 mol 206 unq 2 iso 0 dist 5.52084 7.33701 7.21306 4.62682 5.80674 10.985 numMergedOcc 0
47 mol 206 unq 3 iso 0 dist 5.52084 8.0871 4.91529 4.62682 5.80674 9.9584 numMergedOcc 0
48 mol 234 unq 0 iso 0 dist 7.72403 9.81425 10.8078 13.8349 9.38888 20.0705 numMergedOcc 0
49 mol 237 unq 0 iso 0 dist 8.8949 7.41478 5.76833 10.6582 8.20201 10.726 numMergedOcc 0
50 mol 237 unq 1 iso 0 dist 8.8949 7.41478 5.76833 13.3834 6.21939 10.8855 numMergedOcc 0
51 mol 237 unq 2 iso 0 dist 8.8949 9.20822 10.9723 10.6582 8.20201 8.10254 numMergedOcc 0
52 mol 237 unq 3 iso 0 dist 8.8949 9.20822 10.9723 13.3834 6.21939 12.2998 numMergedOcc 0
53 mol 244 unq 0 iso 0 dist 5.29811 5.50492 5.01275 10.5501 7.34165 12.191 numMergedOcc 0
54 mol 244 unq 1 iso 0 dist 5.29811 5.50492 5.01275 5.17744 6.61951 6.22122 numMergedOcc 0
55 mol 273 unq 0 iso 0 dist 9.82018 8.49177 5.91142 4.60101 6.83684 7.16346 numMergedOcc 0
56 mol 274 unq 0 iso 0 dist 6.92434 9.85289 4.67674 5.29529 5.0002 6.88827 numMergedOcc 0
57 mol 280 unq 0 iso 0 dist 8.65577 9.76787 7.52635 6.19336 8.64557 6.73712 numMergedOcc 0
