0 mol 1 unq 0 iso 0 dist 8.93702 7.48521 5.96833 9.40282 5.11735 6.86701 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.34656 16.3136 8.81608 12.8676 10.515 9.67164 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.34656 16.3136 8.81608 13.0935 6.06176 5.99459 numMergedOcc 0
3 mol 18 unq 0 iso 0 dist 8.25905 6.82841 5.04478 7.37356 7.04695 5.65084 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 8.50453 12.5287 7.79336 12.9387 5.32981 7.18022 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 8.50453 13.6582 7.08559 12.9387 5.32981 6.24711 numMergedOcc 0
6 mol 34 unq 2 iso 0 dist 6.74716 7.48264 7.79336 10.172 5.32981 7.18022 numMergedOcc 0
7 mol 34 unq 3 iso 0 dist 6.74716 9.18464 7.08559 10.172 5.32981 6.24711 numMergedOcc 0
8 mol 34 unq 4 iso 0 dist 5.73257 6.65242 8.63635 8.36524 8.90278 6.24711 numMergedOcc 0
9 mol 62 unq 0 iso 0 dist 4.89196 7.751 9.1062 12.0244 11.7069 9.69044 numMergedOcc 0
10 mol 62 unq 1 iso 0 dist 4.89196 7.751 9.1062 8.27156 5.49555 6.9103 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 7.95972 10.6185 6.7272 5.48831 7.17489 9.55118 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 7.95972 4.89334 7.64009 5.48831 7.17489 9.10345 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 6.85365 4.9759 8.91262 7.42474 6.35364 9.05166 numMergedOcc 0
14 mol 112 unq 1 iso 0 dist 6.85365 6.59976 6.12922 7.42474 6.35364 5.56994 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 5.43229 9.02908 8.0168 13.352 10.7942 6.39384 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 5.43229 9.02908 8.0168 11.172 10.9739 9.42082 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 4.95674 7.44092 8.55349 9.00172 9.53782 8.77023 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 7.17226 11.0449 8.55349 15.6173 9.53782 8.77023 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 5.98435 4.72407 6.44575 8.31276 5.31077 6.42772 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 5.98435 4.72407 6.44575 5.79157 6.74887 9.1998 numMergedOcc 0
21 mol 134 unq 2 iso 0 dist 5.98435 4.72407 6.44575 5.50687 10.9715 8.70621 numMergedOcc 0
22 mol 134 unq 3 iso 0 dist 5.98435 7.97297 7.43401 9.87619 5.3585 9.33094 numMergedOcc 0
23 mol 134 unq 4 iso 0 dist 5.98435 7.97297 7.43401 5.79157 6.74887 8.69531 numMergedOcc 0
24 mol 134 unq 5 iso 0 dist 4.87879 8.17498 5.73203 15.8408 14.0644 9.10524 numMergedOcc 0
25 mol 134 unq 6 iso 0 dist 4.87879 8.17498 5.73203 8.94541 5.9915 9.00918 numMergedOcc 0
26 mol 134 unq 7 iso 0 dist 4.87879 10.9758 6.57379 13.6391 8.96357 5.35237 numMergedOcc 0
27 mol 134 unq 8 iso 0 dist 4.87879 10.9758 6.57379 8.94541 5.9915 7.99477 numMergedOcc 0
28 mol 134 unq 9 iso 0 dist 6.76614 6.6473 5.73203 14.7121 14.0644 9.10524 numMergedOcc 0
29 mol 134 unq 10 iso 0 dist 6.76614 6.6473 5.73203 12.3409 5.9915 9.00918 numMergedOcc 0
30 mol 134 unq 11 iso 0 dist 6.76614 10.3627 6.57379 14.7144 8.96357 5.35237 numMergedOcc 0
31 mol 134 unq 12 iso 0 dist 6.76614 10.3627 6.57379 12.3409 5.9915 7.99477 numMergedOcc 0
32 mol 134 unq 13 iso 0 dist 8.80672 6.67639 5.73203 8.31276 14.0644 9.10524 numMergedOcc 0
33 mol 134 unq 14 iso 0 dist 8.80672 6.67639 5.73203 7.30919 5.9915 9.00918 numMergedOcc 0
34 mol 134 unq 15 iso 0 dist 8.80672 4.4987 6.57379 5.50687 8.96357 5.35237 numMergedOcc 0
35 mol 134 unq 16 iso 0 dist 8.80672 4.4987 6.57379 7.30919 5.9915 7.99477 numMergedOcc 0
36 mol 143 unq 0 iso 0 dist 7.13287 9.1255 7.05845 12.4841 6.01455 7.36975 numMergedOcc 0
37 mol 155 unq 0 iso 0 dist 9.70106 4.33327 7.29911 12.6012 12.8482 8.97626 numMergedOcc 0
38 mol 184 unq 0 iso 0 dist 7.09847 11.9266 7.59939 13.4219 6.47974 6.73504 numMergedOcc 0
39 mol 197 unq 0 iso 0 dist 6.58245 9.66766 9.27218 6.18446 5.2908 9.10817 numMergedOcc 0
40 mol 197 unq 1 iso 0 dist 6.58245 9.66766 9.27218 9.96544 6.23998 6.86828 numMergedOcc 0
41 mol 233 unq 0 iso 0 dist 5.34745 9.86764 6.01775 13.2954 8.96098 8.51625 numMergedOcc 0
42 mol 233 unq 1 iso 0 dist 7.99897 5.17683 6.01775 6.48196 8.96098 8.51625 numMergedOcc 0
43 mol 233 unq 2 iso 0 dist 8.98366 9.7363 6.01775 15.8002 8.96098 8.51625 numMergedOcc 0
44 mol 234 unq 0 iso 0 dist 7.54327 16.363 9.11572 11.234 5.56749 7.81215 numMergedOcc 0
45 mol 234 unq 1 iso 0 dist 7.54327 16.363 9.11572 14.7133 8.0608 5.64285 numMergedOcc 0
46 mol 267 unq 0 iso 0 dist 6.87713 10.6273 5.08174 7.94474 7.11419 8.8293 numMergedOcc 0
47 mol 267 unq 1 iso 0 dist 6.87713 10.6273 5.08174 11.3997 6.45566 7.34981 numMergedOcc 0
48 mol 267 unq 2 iso 0 dist 8.87518 10.1261 5.08174 14.7537 7.11419 8.8293 numMergedOcc 0
49 mol 267 unq 3 iso 0 dist 8.87518 10.1261 5.08174 10.4269 6.45566 7.34981 numMergedOcc 0
50 mol 272 unq 0 iso 0 dist 6.27189 13.4399 8.84523 12.454 6.64985 6.44147 numMergedOcc 0
51 mol 273 unq 0 iso 0 dist 9.93542 4.3735 9.06937 9.79022 7.00883 6.31969 numMergedOcc 0
52 mol 274 unq 0 iso 0 dist 8.38395 11.3961 6.66172 12.6182 5.31116 6.4611 numMergedOcc 0
53 mol 287 unq 0 iso 0 dist 8.70062 9.8719 8.59762 10.3643 7.23534 7.45616 numMergedOcc 0
54 mol 288 unq 0 iso 0 dist 8.70062 9.8719 8.59762 10.3643 7.23534 7.45616 numMergedOcc 0
55 mol 289 unq 0 iso 0 dist 8.70062 9.8719 8.59762 10.3643 7.23534 7.45616 numMergedOcc 0
