0 mol 1 unq 0 iso 0 dist 9.40282 8.93702 5.11735 7.48521 6.86701 5.96833 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.35554 8.93702 9.01967 7.48521 10.8992 5.96833 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 9.2978 8.25905 5.01478 16.1629 12.3718 9.35863 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 9.2978 8.25905 5.01478 6.82841 9.45949 5.04478 numMergedOcc 0
4 mol 18 unq 2 iso 0 dist 7.37356 8.25905 7.04695 16.1629 14.8965 9.35863 numMergedOcc 0
5 mol 18 unq 3 iso 0 dist 7.37356 8.25905 7.04695 6.82841 5.65084 5.04478 numMergedOcc 0
6 mol 20 unq 0 iso 0 dist 9.44151 8.71628 12.5816 5.06894 13.0023 5.9809 numMergedOcc 0
7 mol 20 unq 1 iso 0 dist 9.44151 8.71628 12.5816 9.95303 15.8564 5.83917 numMergedOcc 0
8 mol 34 unq 0 iso 0 dist 8.36524 5.73257 8.90278 6.65242 6.24711 8.63635 numMergedOcc 0
9 mol 62 unq 0 iso 0 dist 8.27156 4.89196 5.49555 7.751 6.9103 9.1062 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 5.48831 7.95972 7.17489 8.94836 10.7102 7.93683 numMergedOcc 0
11 mol 72 unq 1 iso 0 dist 5.48831 7.95972 7.17489 10.6185 9.55118 6.7272 numMergedOcc 0
12 mol 72 unq 2 iso 0 dist 5.48831 7.95972 7.17489 4.89334 9.10345 7.64009 numMergedOcc 0
13 mol 72 unq 3 iso 0 dist 9.39178 7.95972 12.6531 8.94836 16.2573 7.93683 numMergedOcc 0
14 mol 72 unq 4 iso 0 dist 9.39178 7.95972 12.6531 10.6185 15.0406 6.7272 numMergedOcc 0
15 mol 72 unq 5 iso 0 dist 9.39178 7.95972 12.6531 4.89334 14.0306 7.64009 numMergedOcc 0
16 mol 95 unq 0 iso 0 dist 8.07365 6.47401 8.73564 13.573 17.8735 9.51318 numMergedOcc 0
17 mol 95 unq 1 iso 0 dist 8.07365 6.47401 8.73564 14.6933 16.9023 9.84457 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 8.86938 6.85365 12.8768 4.9759 13.1243 8.91262 numMergedOcc 0
19 mol 112 unq 1 iso 0 dist 8.86938 6.85365 12.8768 6.59976 15.3113 6.12922 numMergedOcc 0
20 mol 112 unq 2 iso 0 dist 7.42474 6.85365 6.35364 4.9759 9.05166 8.91262 numMergedOcc 0
21 mol 112 unq 3 iso 0 dist 7.42474 6.85365 6.35364 6.59976 5.56994 6.12922 numMergedOcc 0
22 mol 113 unq 0 iso 0 dist 7.2443 8.94447 8.69934 11.2557 11.6298 5.29949 numMergedOcc 0
23 mol 126 unq 0 iso 0 dist 7.02525 6.35364 5.15767 10.6053 12.0971 8.7789 numMergedOcc 0
24 mol 126 unq 1 iso 0 dist 7.02525 6.35364 5.15767 13.8413 11.8923 9.93613 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 8.66715 4.95674 12.0863 7.44092 12.5855 8.55349 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 9.00172 4.95674 9.53782 7.44092 8.77023 8.55349 numMergedOcc 0
27 mol 133 unq 2 iso 0 dist 8.95433 9.59094 4.68409 13.2035 13.5288 9.10003 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 8.31276 5.98435 5.31077 4.72407 6.42772 6.44575 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 8.31276 5.98435 5.31077 7.97297 9.70973 7.43401 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 8.31276 8.80672 14.0644 6.67639 9.10524 5.73203 numMergedOcc 0
31 mol 134 unq 3 iso 0 dist 8.31276 8.80672 14.0644 4.4987 10.6728 6.57379 numMergedOcc 0
32 mol 134 unq 4 iso 0 dist 5.79157 5.98435 6.74887 4.72407 9.1998 6.44575 numMergedOcc 0
33 mol 134 unq 5 iso 0 dist 5.79157 5.98435 6.74887 7.97297 8.69531 7.43401 numMergedOcc 0
34 mol 134 unq 6 iso 0 dist 5.79157 8.80672 12.6989 6.67639 12.1179 5.73203 numMergedOcc 0
35 mol 134 unq 7 iso 0 dist 5.79157 8.80672 12.6989 4.4987 9.71716 6.57379 numMergedOcc 0
36 mol 134 unq 8 iso 0 dist 5.50687 5.98435 10.9715 4.72407 8.70621 6.44575 numMergedOcc 0
37 mol 134 unq 9 iso 0 dist 5.50687 5.98435 10.9715 7.97297 10.3432 7.43401 numMergedOcc 0
38 mol 134 unq 10 iso 0 dist 5.50687 8.80672 8.96357 6.67639 9.69086 5.73203 numMergedOcc 0
39 mol 134 unq 11 iso 0 dist 5.50687 8.80672 8.96357 4.4987 5.35237 6.57379 numMergedOcc 0
40 mol 134 unq 12 iso 0 dist 8.94541 4.87879 5.9915 8.17498 9.00918 5.73203 numMergedOcc 0
41 mol 134 unq 13 iso 0 dist 8.94541 4.87879 5.9915 10.9758 7.99477 6.57379 numMergedOcc 0
42 mol 134 unq 14 iso 0 dist 7.30919 5.98435 11.4638 4.72407 11.8779 6.44575 numMergedOcc 0
43 mol 134 unq 15 iso 0 dist 7.30919 5.98435 11.4638 7.97297 14.7874 7.43401 numMergedOcc 0
44 mol 134 unq 16 iso 0 dist 7.30919 8.80672 5.9915 6.67639 9.00918 5.73203 numMergedOcc 0
45 mol 134 unq 17 iso 0 dist 7.30919 8.80672 5.9915 4.4987 7.99477 6.57379 numMergedOcc 0
46 mol 197 unq 0 iso 0 dist 6.18446 6.58245 5.2908 9.66766 9.10817 9.27218 numMergedOcc 0
47 mol 197 unq 1 iso 0 dist 9.96544 6.58245 6.23998 9.66766 6.86828 9.27218 numMergedOcc 0
48 mol 218 unq 0 iso 0 dist 9.79816 7.89694 11.0503 6.27279 9.24601 9.59426 numMergedOcc 0
49 mol 218 unq 1 iso 0 dist 9.79816 5.66171 7.47048 6.27279 9.24601 8.61306 numMergedOcc 0
50 mol 233 unq 0 iso 0 dist 6.48196 7.99897 8.96098 9.1334 14.3009 8.24424 numMergedOcc 0
51 mol 233 unq 1 iso 0 dist 6.48196 7.99897 8.96098 9.81222 14.2 7.0942 numMergedOcc 0
52 mol 233 unq 2 iso 0 dist 6.48196 7.99897 8.96098 5.17683 8.51625 6.01775 numMergedOcc 0
53 mol 235 unq 0 iso 0 dist 6.45574 9.24964 9.66021 9.94369 13.8176 7.02029 numMergedOcc 0
54 mol 235 unq 1 iso 0 dist 8.14407 5.71896 9.66021 7.91326 13.8176 7.02029 numMergedOcc 0
55 mol 267 unq 0 iso 0 dist 7.94474 6.87713 7.11419 5.30771 9.33497 6.32877 numMergedOcc 0
56 mol 267 unq 1 iso 0 dist 7.94474 6.87713 7.11419 7.81198 14.4164 9.48115 numMergedOcc 0
57 mol 267 unq 2 iso 0 dist 7.94474 6.87713 7.11419 14.1912 15.0638 8.38545 numMergedOcc 0
58 mol 267 unq 3 iso 0 dist 7.94474 6.87713 7.11419 10.6273 8.8293 5.08174 numMergedOcc 0
59 mol 267 unq 4 iso 0 dist 7.94474 6.87713 7.11419 11.0675 11.5802 6.10838 numMergedOcc 0
60 mol 273 unq 0 iso 0 dist 9.79022 9.93542 7.00883 4.3735 6.31969 9.06937 numMergedOcc 0
61 mol 274 unq 0 iso 0 dist 9.13226 8.38395 6.68358 11.3961 12.8334 6.66172 numMergedOcc 0
