0 mol 9 unq 0 iso 0 dist 8.77074 17.4675 9.27637 11.1857 8.55446 15.0681 11.1449 4.74921 9.75403 5.40172 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.77074 17.4675 9.27637 9.93406 6.59455 11.8296 11.1449 4.74921 9.75403 3.91893 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.77074 17.4675 9.27637 13.0985 5.71201 5.67536 11.1449 4.74921 9.75403 4.94281 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.70141 13.2653 4.93188 12.1061 4.90592 5.11617 10.3497 9.65174 13.5399 9.63925 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.70141 13.2653 4.93188 6.81998 8.16324 10.8238 10.3497 9.65174 13.5399 12.5427 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.70141 5.80023 9.24958 12.1061 4.90592 13.2229 10.3497 9.65174 15.0923 9.63925 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.70141 5.80023 9.24958 6.81998 8.16324 6.7828 10.3497 9.65174 15.0923 12.5427 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 9.46609 13.1626 8.44506 4.29919 9.5053 10.9837 9.54853 9.41425 6.33493 8.58071 numMergedOcc 0
8 mol 28 unq 0 iso 0 dist 9.00593 9.68942 7.28416 13.0892 7.40415 8.4285 13.3238 8.75468 4.55829 10.4406 numMergedOcc 0
9 mol 28 unq 1 iso 0 dist 9.00593 9.68942 7.28416 13.0892 7.40415 8.4285 10.4507 7.62989 5.13816 12.0524 numMergedOcc 0
10 mol 28 unq 2 iso 0 dist 9.00593 9.68942 7.28416 13.0892 7.40415 8.4285 3.45063 5.70238 7.07342 10.0581 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 6.53468 14.2026 8.03303 4.79924 7.62738 14.6243 12.7709 8.59337 6.28792 12.1293 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 6.53468 14.2026 8.03303 4.79924 7.62738 14.6243 13.1304 7.66942 4.4893 15.0139 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 5.90954 9.27925 8.03303 9.80492 7.62738 14.6243 7.78675 8.59337 6.28792 12.1293 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 5.90954 9.27925 8.03303 9.80492 7.62738 14.6243 7.76917 7.66942 4.4893 15.0139 numMergedOcc 0
15 mol 93 unq 0 iso 0 dist 8.42713 17.674 9.81831 15.595 7.62611 4.4022 14.4533 6.46217 8.13232 6.4154 numMergedOcc 0
16 mol 93 unq 1 iso 0 dist 8.42713 15.232 9.12858 15.595 7.62611 8.96224 14.4533 6.46217 9.79899 6.4154 numMergedOcc 0
17 mol 93 unq 2 iso 0 dist 8.42713 12.5871 9.4523 15.595 7.62611 10.3849 14.4533 6.46217 13.6379 6.4154 numMergedOcc 0
18 mol 93 unq 3 iso 0 dist 8.21032 6.25741 9.81831 4.38413 7.62611 4.4022 3.24551 6.46217 8.13232 6.4154 numMergedOcc 0
19 mol 93 unq 4 iso 0 dist 8.21032 10.0172 9.12858 4.38413 7.62611 8.96224 3.24551 6.46217 9.79899 6.4154 numMergedOcc 0
20 mol 93 unq 5 iso 0 dist 8.21032 13.6269 9.4523 4.38413 7.62611 10.3849 3.24551 6.46217 13.6379 6.4154 numMergedOcc 0
21 mol 114 unq 0 iso 0 dist 5.82501 7.6321 9.7918 3.88006 7.42482 7.12268 5.40104 6.4569 4.97363 3.67473 numMergedOcc 0
22 mol 147 unq 0 iso 0 dist 6.4752 8.95179 5.49226 10.7246 7.25644 11.1681 11.3398 7.19893 4.19634 13.5462 numMergedOcc 0
23 mol 147 unq 1 iso 0 dist 6.4752 8.95179 5.49226 10.7246 7.25644 11.1681 6.78721 6.37938 4.45407 13.2259 numMergedOcc 0
24 mol 147 unq 2 iso 0 dist 6.4752 10.5583 6.28351 10.7246 7.25644 5.50251 11.3398 7.19893 10.2041 13.5462 numMergedOcc 0
25 mol 147 unq 3 iso 0 dist 6.4752 10.5583 6.28351 10.7246 7.25644 5.50251 6.78721 6.37938 10.5141 13.2259 numMergedOcc 0
26 mol 158 unq 0 iso 0 dist 6.92225 9.86605 7.88319 4.31531 6.76055 6.4079 10.5886 8.06621 6.60451 9.64397 numMergedOcc 0
27 mol 158 unq 1 iso 0 dist 6.92225 9.86605 7.88319 9.29425 9.36343 4.25067 10.5886 8.06621 6.60451 5.16839 numMergedOcc 0
28 mol 162 unq 0 iso 0 dist 8.48559 6.46702 6.20182 7.15755 7.14263 4.20425 10.5749 9.56342 4.51281 6.17752 numMergedOcc 0
29 mol 162 unq 1 iso 0 dist 8.48559 6.46702 6.20182 7.74683 8.57005 6.07158 10.5749 9.56342 4.51281 8.7961 numMergedOcc 0
30 mol 175 unq 0 iso 0 dist 9.08628 4.358 8.0154 9.7676 8.05247 6.29885 16.2286 7.6741 13.8965 10.297 numMergedOcc 0
31 mol 175 unq 1 iso 0 dist 9.08628 4.358 8.0154 11.4159 9.71028 7.27408 16.2286 7.6741 13.8965 11.8094 numMergedOcc 0
32 mol 175 unq 2 iso 0 dist 8.35581 9.63193 8.0154 5.81984 8.05247 6.29885 10.3387 7.6741 13.8965 10.297 numMergedOcc 0
33 mol 175 unq 3 iso 0 dist 8.35581 9.63193 8.0154 12.3602 9.71028 7.27408 10.3387 7.6741 13.8965 11.8094 numMergedOcc 0
34 mol 175 unq 4 iso 0 dist 6.72569 8.97821 8.0154 3.98834 8.05247 6.29885 7.28678 7.6741 13.8965 10.297 numMergedOcc 0
35 mol 175 unq 5 iso 0 dist 6.72569 8.97821 8.0154 9.4225 9.71028 7.27408 7.28678 7.6741 13.8965 11.8094 numMergedOcc 0
36 mol 175 unq 6 iso 0 dist 9.12296 4.27736 7.35824 11.6344 5.89564 11.8693 9.43753 6.90373 10.7092 3.6642 numMergedOcc 0
37 mol 175 unq 7 iso 0 dist 9.12296 4.27736 7.35824 5.96987 5.60528 6.77832 9.43753 6.90373 10.7092 6.03236 numMergedOcc 0
38 mol 218 unq 0 iso 0 dist 9.6309 9.24732 8.86175 10.2441 9.32945 4.92618 8.71194 6.62738 9.9009 7.3057 numMergedOcc 0
39 mol 218 unq 1 iso 0 dist 9.6309 9.24732 8.86175 10.2441 9.32945 4.92618 5.07361 7.13254 11.0018 10.5867 numMergedOcc 0
40 mol 218 unq 2 iso 0 dist 9.6309 10.8948 6.29511 10.2441 9.32945 7.84019 8.71194 6.62738 10.3884 7.3057 numMergedOcc 0
41 mol 218 unq 3 iso 0 dist 9.6309 10.8948 6.29511 10.2441 9.32945 7.84019 5.07361 7.13254 11.2389 10.5867 numMergedOcc 0
42 mol 264 unq 0 iso 0 dist 8.28871 11.5671 6.04162 14.7332 7.21655 6.26382 9.86659 8.78525 5.82362 10.197 numMergedOcc 0
43 mol 264 unq 1 iso 0 dist 8.28871 13.8765 6.14323 14.7332 7.21655 5.24812 9.86659 8.78525 10.6043 10.197 numMergedOcc 0
44 mol 264 unq 2 iso 0 dist 7.94668 5.21164 6.04162 10.3515 7.21655 6.26382 9.26671 8.78525 5.82362 10.197 numMergedOcc 0
45 mol 264 unq 3 iso 0 dist 7.94668 6.12009 6.14323 10.3515 7.21655 5.24812 9.26671 8.78525 10.6043 10.197 numMergedOcc 0
46 mol 277 unq 0 iso 0 dist 5.70326 9.08161 9.3936 9.45482 8.81717 4.50065 4.20802 4.61089 10.724 11.6159 numMergedOcc 0
