0 mol 0 unq 0 iso 0 dist 8.99617 11.2001 9.19007 6.48924 7.92928 7.02374 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 7.21619 8.75206 8.80762 6.84045 7.57354 12.2708 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.21619 8.75206 8.80762 4.95992 6.96586 6.06176 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 5.87266 5.41626 7.05346 14.9544 9.82483 13.5628 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 9.60462 7.06965 7.05346 10.7245 9.82483 13.5628 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 5.78238 9.59761 6.60423 8.08994 8.62284 5.39241 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 5.78238 5.641 7.83786 8.08994 8.62284 4.51549 numMergedOcc 0
7 mol 30 unq 0 iso 0 dist 5.19692 5.59189 8.7817 10.0649 8.58568 10.8374 numMergedOcc 0
8 mol 30 unq 1 iso 0 dist 5.19692 7.78507 7.55415 10.0649 8.58568 7.95173 numMergedOcc 0
9 mol 42 unq 0 iso 0 dist 8.04465 13.006 9.53458 5.06225 6.25866 11.1435 numMergedOcc 0
10 mol 42 unq 1 iso 0 dist 8.04465 13.1762 9.16649 5.06225 6.25866 9.34878 numMergedOcc 0
11 mol 44 unq 0 iso 0 dist 8.6578 6.07691 7.52117 11.6488 9.17518 5.87283 numMergedOcc 0
12 mol 44 unq 1 iso 0 dist 8.6578 6.07691 7.52117 15.1165 8.21833 10.6223 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 9.07229 10.6381 8.41611 5.45952 6.40901 5.44503 numMergedOcc 0
14 mol 143 unq 1 iso 0 dist 8.98581 4.98373 7.63338 6.11011 8.1582 6.01455 numMergedOcc 0
15 mol 143 unq 2 iso 0 dist 8.98581 4.98373 7.63338 5.41014 9.40626 5.44503 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 5.29515 7.12546 9.02318 8.95758 8.12589 12.144 numMergedOcc 0
17 mol 148 unq 1 iso 0 dist 5.29515 10.7866 9.74542 8.95758 8.12589 10.2478 numMergedOcc 0
18 mol 148 unq 2 iso 0 dist 5.29515 5.2593 7.97543 8.95758 8.12589 6.29254 numMergedOcc 0
19 mol 150 unq 0 iso 0 dist 5.16917 10.734 9.6606 8.91883 8.11592 10.2318 numMergedOcc 0
20 mol 150 unq 1 iso 0 dist 5.16917 5.1918 7.85526 8.91883 8.11592 6.25747 numMergedOcc 0
21 mol 150 unq 2 iso 0 dist 5.16917 7.02896 8.94552 8.91883 8.11592 12.154 numMergedOcc 0
22 mol 156 unq 0 iso 0 dist 8.99141 5.73002 9.43259 11.0872 6.87906 13.2847 numMergedOcc 0
23 mol 156 unq 1 iso 0 dist 8.99141 5.73002 9.43259 7.13872 7.94975 5.97294 numMergedOcc 0
24 mol 156 unq 2 iso 0 dist 8.99141 5.73002 9.43259 13.2367 8.49473 16.5051 numMergedOcc 0
25 mol 156 unq 3 iso 0 dist 8.99141 5.73002 9.43259 16.2495 9.39865 13.6496 numMergedOcc 0
26 mol 156 unq 4 iso 0 dist 5.85349 5.65865 9.31851 11.0872 9.54367 10.5873 numMergedOcc 0
27 mol 156 unq 5 iso 0 dist 5.85349 5.65865 9.31851 7.13872 7.26859 4.73711 numMergedOcc 0
28 mol 156 unq 6 iso 0 dist 5.85349 5.73002 6.2319 11.0872 9.54367 13.2847 numMergedOcc 0
29 mol 156 unq 7 iso 0 dist 5.85349 5.73002 6.2319 7.13872 7.26859 5.97294 numMergedOcc 0
30 mol 156 unq 8 iso 0 dist 5.85349 11.2941 9.97732 11.0872 9.54367 14.42 numMergedOcc 0
31 mol 156 unq 9 iso 0 dist 5.85349 11.2941 9.97732 7.13872 7.26859 6.53729 numMergedOcc 0
32 mol 156 unq 10 iso 0 dist 8.60938 16.8259 9.43259 10.6432 6.87906 13.2847 numMergedOcc 0
33 mol 156 unq 11 iso 0 dist 8.60938 16.8259 9.43259 14.2309 7.94975 5.97294 numMergedOcc 0
34 mol 156 unq 12 iso 0 dist 8.60938 16.8259 9.43259 7.03382 9.39865 13.6496 numMergedOcc 0
35 mol 156 unq 13 iso 0 dist 8.60938 16.8259 9.43259 11.5497 8.49473 16.5051 numMergedOcc 0
36 mol 171 unq 0 iso 0 dist 7.11599 12.3586 7.71426 5.00808 5.73148 8.08908 numMergedOcc 0
37 mol 171 unq 1 iso 0 dist 7.11599 9.45239 5.10618 5.00808 5.73148 6.05805 numMergedOcc 0
38 mol 171 unq 2 iso 0 dist 7.11599 6.08244 9.86681 5.00808 5.73148 8.83561 numMergedOcc 0
39 mol 194 unq 0 iso 0 dist 9.13708 5.03763 6.26839 18.6899 9.77862 15.9311 numMergedOcc 0
40 mol 194 unq 1 iso 0 dist 9.13708 12.8318 8.12346 18.6899 9.77862 13.7758 numMergedOcc 0
41 mol 194 unq 2 iso 0 dist 9.13708 16.5287 8.83356 18.6899 9.77862 5.38925 numMergedOcc 0
42 mol 194 unq 3 iso 0 dist 9.13708 11.4735 8.2654 18.6899 9.77862 14.2415 numMergedOcc 0
43 mol 210 unq 0 iso 0 dist 8.53457 13.2569 7.63018 12.7024 6.4829 10.9823 numMergedOcc 0
44 mol 227 unq 0 iso 0 dist 5.05201 9.08827 8.38865 6.70019 9.20589 9.60993 numMergedOcc 0
45 mol 227 unq 1 iso 0 dist 5.05201 9.08827 8.38865 10.3655 7.89801 13.3557 numMergedOcc 0
46 mol 227 unq 2 iso 0 dist 5.05201 5.70988 5.4694 6.70019 9.20589 5.34702 numMergedOcc 0
47 mol 227 unq 3 iso 0 dist 5.05201 5.70988 5.4694 10.3655 7.89801 8.8709 numMergedOcc 0
48 mol 230 unq 0 iso 0 dist 5.51163 5.53578 9.09271 10.4585 8.85215 11.2344 numMergedOcc 0
49 mol 230 unq 1 iso 0 dist 5.51163 7.7551 7.44838 10.4585 8.85215 8.44099 numMergedOcc 0
50 mol 248 unq 0 iso 0 dist 7.21518 6.42363 6.77954 11.2533 8.42446 5.59351 numMergedOcc 0
51 mol 248 unq 1 iso 0 dist 8.46518 4.53213 6.17052 4.11367 8.53148 6.48757 numMergedOcc 0
52 mol 248 unq 2 iso 0 dist 8.46518 6.33032 9.77666 4.11367 8.53148 5.51827 numMergedOcc 0
53 mol 261 unq 0 iso 0 dist 9.62681 11.0719 5.26434 12.798 9.24121 7.49174 numMergedOcc 0
54 mol 261 unq 1 iso 0 dist 9.62681 15.7058 8.60026 12.798 9.24121 5.22253 numMergedOcc 0
55 mol 272 unq 0 iso 0 dist 6.49719 11.8274 9.64269 12.1002 7.55161 4.72202 numMergedOcc 0
56 mol 272 unq 1 iso 0 dist 6.49719 5.81271 6.88809 12.1002 7.55161 8.5751 numMergedOcc 0
57 mol 272 unq 2 iso 0 dist 6.49719 11.2831 8.46061 12.1002 7.55161 8.52877 numMergedOcc 0
58 mol 272 unq 3 iso 0 dist 5.7564 11.082 9.64269 11.0654 7.55161 4.72202 numMergedOcc 0
59 mol 272 unq 4 iso 0 dist 5.7564 5.82123 6.88809 11.0654 7.55161 8.5751 numMergedOcc 0
60 mol 272 unq 5 iso 0 dist 5.7564 6.72149 8.46061 11.0654 7.55161 8.52877 numMergedOcc 0
61 mol 279 unq 0 iso 0 dist 7.92537 13.9298 8.29305 10.8222 8.23056 5.3373 numMergedOcc 0
62 mol 279 unq 1 iso 0 dist 7.92537 9.73122 6.43341 10.8222 8.23056 7.18967 numMergedOcc 0
63 mol 282 unq 0 iso 0 dist 9.72264 11.2259 5.23193 9.88329 9.96468 7.30164 numMergedOcc 0
64 mol 282 unq 1 iso 0 dist 9.72264 11.2259 5.23193 12.6428 9.59817 8.36249 numMergedOcc 0
