0 mol 7 unq 0 iso 0 dist 6.02702 10.5551 6.04832 6.55304 6.14469 5.82034 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.72114 4.87279 6.04832 6.34041 6.14469 5.82034 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.62394 9.32349 9.68136 16.147 7.35972 12.2786 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 9.62394 9.32349 9.68136 19.4709 9.93542 16.2955 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 7.32257 4.86982 6.17406 8.50424 7.35972 10.8146 numMergedOcc 0
5 mol 9 unq 3 iso 0 dist 7.32257 5.72062 7.2707 8.50424 7.35972 12.0297 numMergedOcc 0
6 mol 9 unq 4 iso 0 dist 6.55811 9.10873 6.17406 6.02809 7.35972 10.8146 numMergedOcc 0
7 mol 9 unq 5 iso 0 dist 6.55811 7.6565 7.2707 6.02809 7.35972 12.0297 numMergedOcc 0
8 mol 9 unq 6 iso 0 dist 8.64915 13.1204 6.17406 4.98827 7.35972 10.8146 numMergedOcc 0
9 mol 9 unq 7 iso 0 dist 8.64915 12.3746 7.2707 4.98827 7.35972 12.0297 numMergedOcc 0
10 mol 9 unq 8 iso 0 dist 7.36018 7.6565 8.99816 6.02809 9.93542 12.0297 numMergedOcc 0
11 mol 9 unq 9 iso 0 dist 8.17347 12.3746 8.99816 4.98827 9.93542 12.0297 numMergedOcc 0
12 mol 15 unq 0 iso 0 dist 5.89412 14.8121 9.41935 9.75966 6.03257 6.25997 numMergedOcc 0
13 mol 15 unq 1 iso 0 dist 7.07399 5.88545 9.41935 4.39605 6.03257 6.25997 numMergedOcc 0
14 mol 20 unq 0 iso 0 dist 7.51452 10.0614 6.70097 10.0815 5.86181 10.3521 numMergedOcc 0
15 mol 20 unq 1 iso 0 dist 7.51452 10.0614 6.70097 13.457 6.3253 8.19819 numMergedOcc 0
16 mol 20 unq 2 iso 0 dist 7.51452 10.0614 6.70097 11.3821 5.80568 6.11738 numMergedOcc 0
17 mol 20 unq 3 iso 0 dist 9.20198 11.637 6.70097 8.96335 5.86181 10.3521 numMergedOcc 0
18 mol 20 unq 4 iso 0 dist 9.20198 11.637 6.70097 6.05944 6.3253 8.19819 numMergedOcc 0
19 mol 20 unq 5 iso 0 dist 9.20198 11.637 6.70097 7.46656 5.80568 6.11738 numMergedOcc 0
20 mol 24 unq 0 iso 0 dist 8.4051 13.2525 6.23824 12.176 6.72323 6.39466 numMergedOcc 0
21 mol 24 unq 1 iso 0 dist 7.29868 4.99125 6.23824 6.66749 6.72323 6.39466 numMergedOcc 0
22 mol 24 unq 2 iso 0 dist 8.60554 11.4659 6.23824 14.012 6.72323 6.39466 numMergedOcc 0
23 mol 65 unq 0 iso 0 dist 6.72639 6.58414 8.76172 5.51708 5.94206 4.50437 numMergedOcc 0
24 mol 65 unq 1 iso 0 dist 6.76508 4.92177 8.76172 6.47381 5.94206 4.50437 numMergedOcc 0
25 mol 85 unq 0 iso 0 dist 9.82915 12.8706 9.35279 10.4987 9.66222 18.1901 numMergedOcc 0
26 mol 98 unq 0 iso 0 dist 5.78706 11.4024 6.90706 11.3905 7.14031 10.1557 numMergedOcc 0
27 mol 98 unq 1 iso 0 dist 7.23884 8.43357 6.90706 14.2646 7.14031 10.1557 numMergedOcc 0
28 mol 98 unq 2 iso 0 dist 5.59328 5.68803 6.90706 4.67519 7.14031 10.1557 numMergedOcc 0
29 mol 98 unq 3 iso 0 dist 7.5242 5.68885 6.90706 10.4027 7.14031 10.1557 numMergedOcc 0
30 mol 100 unq 0 iso 0 dist 7.01812 8.07089 6.84692 10.6848 9.5057 4.71426 numMergedOcc 0
31 mol 100 unq 1 iso 0 dist 8.30845 12.8256 6.84692 15.3454 9.5057 4.71426 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 6.16242 5.47259 6.49688 12.131 8.95662 14.6184 numMergedOcc 0
33 mol 133 unq 1 iso 0 dist 5.87634 4.70102 6.49688 14.8102 8.95662 14.6184 numMergedOcc 0
34 mol 171 unq 0 iso 0 dist 9.61462 11.5192 7.03303 11.5561 5.25109 7.23254 numMergedOcc 0
35 mol 171 unq 1 iso 0 dist 9.61462 11.5192 7.03303 10.844 8.21618 8.97143 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 6.46704 5.87996 8.91675 7.81713 7.32087 10.0785 numMergedOcc 0
37 mol 181 unq 1 iso 0 dist 5.9176 5.83639 6.2176 6.29863 7.22883 8.51662 numMergedOcc 0
38 mol 194 unq 0 iso 0 dist 8.65535 12.9377 9.42308 11.6598 6.1886 9.82808 numMergedOcc 0
39 mol 194 unq 1 iso 0 dist 6.72379 12.3879 5.67863 7.11753 6.38324 9.82808 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 6.36341 9.82715 5.3481 5.5163 6.94789 11.5344 numMergedOcc 0
41 mol 235 unq 1 iso 0 dist 6.21292 6.55862 5.3481 7.77516 6.94789 11.5344 numMergedOcc 0
42 mol 235 unq 2 iso 0 dist 9.21736 6.8239 5.3481 11.7254 6.94789 11.5344 numMergedOcc 0
43 mol 237 unq 0 iso 0 dist 9.16003 15.3739 8.20201 11.1554 8.10254 10.9723 numMergedOcc 0
44 mol 237 unq 1 iso 0 dist 9.16003 6.14234 8.08467 11.1554 8.10254 11.2771 numMergedOcc 0
45 mol 249 unq 0 iso 0 dist 5.48118 6.66935 5.72442 9.0676 5.9627 4.9236 numMergedOcc 0
46 mol 249 unq 1 iso 0 dist 7.25858 5.78976 5.72442 6.56117 5.9627 4.9236 numMergedOcc 0
47 mol 273 unq 0 iso 0 dist 8.83865 9.75887 6.83684 12.0136 7.16346 5.91142 numMergedOcc 0
48 mol 273 unq 1 iso 0 dist 9.18157 7.29345 6.83684 12.1851 7.16346 5.91142 numMergedOcc 0
49 mol 273 unq 2 iso 0 dist 8.49177 5.29565 8.25037 4.60101 7.16346 6.54339 numMergedOcc 0
50 mol 274 unq 0 iso 0 dist 7.46394 10.0578 7.1364 11.1602 7.75216 4.45928 numMergedOcc 0
51 mol 274 unq 1 iso 0 dist 9.45514 10.0247 7.1364 6.52035 7.75216 4.45928 numMergedOcc 0
52 mol 274 unq 2 iso 0 dist 8.91672 5.25703 7.1364 5.58338 7.75216 4.45928 numMergedOcc 0
53 mol 274 unq 3 iso 0 dist 7.1729 5.56942 7.1364 5.71192 7.75216 4.45928 numMergedOcc 0
54 mol 274 unq 4 iso 0 dist 8.52587 5.87456 5.0002 6.20558 6.88827 4.67674 numMergedOcc 0
55 mol 274 unq 5 iso 0 dist 8.52587 5.87456 5.0002 16.3619 9.16942 11.1431 numMergedOcc 0
56 mol 274 unq 6 iso 0 dist 6.39866 6.38211 5.0002 6.16703 6.88827 4.67674 numMergedOcc 0
57 mol 274 unq 7 iso 0 dist 6.39866 6.38211 5.0002 5.64601 9.16942 11.1431 numMergedOcc 0
58 mol 287 unq 0 iso 0 dist 6.89451 6.91308 5.38333 7.83813 6.95912 4.84387 numMergedOcc 0
59 mol 288 unq 0 iso 0 dist 6.89451 6.91308 5.38333 7.83813 6.95912 4.84387 numMergedOcc 0
60 mol 289 unq 0 iso 0 dist 6.89451 6.91308 5.38333 7.83813 6.95912 4.84387 numMergedOcc 0
