0 mol 9 unq 0 iso 0 dist 9.27637 15.0681 8.55446 9.75403 4.74921 5.40172 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.27637 11.8296 6.59455 9.75403 4.74921 3.91893 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 9.27637 5.67536 5.71201 9.75403 4.74921 4.94281 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.60423 4.32034 9.69752 8.66248 9.41655 7.02381 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.60423 4.32034 9.69752 6.73521 6.803 7.18485 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 6.60423 8.52463 9.36461 8.66248 9.41655 14.1137 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 6.60423 8.52463 9.36461 6.73521 6.803 13.4584 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 7.83786 9.6469 9.69752 10.0118 9.41655 7.02381 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 7.83786 9.6469 9.69752 6.07594 6.803 7.18485 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 7.83786 14.6654 9.36461 10.0118 9.41655 14.1137 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 7.83786 14.6654 9.36461 6.07594 6.803 13.4584 numMergedOcc 0
11 mol 24 unq 8 iso 0 dist 4.93188 5.11617 4.90592 13.5399 9.65174 9.63925 numMergedOcc 0
12 mol 24 unq 9 iso 0 dist 4.93188 10.8238 8.16324 13.5399 9.65174 12.5427 numMergedOcc 0
13 mol 24 unq 10 iso 0 dist 9.24958 13.2229 4.90592 15.0923 9.65174 9.63925 numMergedOcc 0
14 mol 24 unq 11 iso 0 dist 9.24958 6.7828 8.16324 15.0923 9.65174 12.5427 numMergedOcc 0
15 mol 26 unq 0 iso 0 dist 8.44506 10.9837 9.5053 6.33493 9.41425 8.58071 numMergedOcc 0
16 mol 28 unq 0 iso 0 dist 7.28416 8.4285 7.40415 4.55829 8.75468 10.4406 numMergedOcc 0
17 mol 28 unq 1 iso 0 dist 7.28416 8.4285 7.40415 5.13816 7.62989 12.0524 numMergedOcc 0
18 mol 28 unq 2 iso 0 dist 7.28416 8.4285 7.40415 7.07342 5.70238 10.0581 numMergedOcc 0
19 mol 60 unq 0 iso 0 dist 9.96399 11.2415 4.65127 9.25611 6.46718 3.99942 numMergedOcc 0
20 mol 60 unq 1 iso 0 dist 7.55695 5.94827 4.65127 5.42423 6.46718 3.99942 numMergedOcc 0
21 mol 60 unq 2 iso 0 dist 8.82176 5.32257 4.65127 7.1082 6.46718 3.99942 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 8.03303 14.6243 7.62738 6.28792 8.59337 12.1293 numMergedOcc 0
23 mol 73 unq 1 iso 0 dist 8.03303 14.6243 7.62738 4.4893 7.66942 15.0139 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 8.00777 11.165 8.70863 5.76272 5.72961 11.5785 numMergedOcc 0
25 mol 85 unq 1 iso 0 dist 7.1589 9.29301 8.70863 8.18948 5.72961 11.5785 numMergedOcc 0
26 mol 92 unq 0 iso 0 dist 8.65802 13.534 8.57827 10.3949 7.87729 4.15826 numMergedOcc 0
27 mol 92 unq 1 iso 0 dist 8.65802 5.83515 7.94453 10.3949 7.87729 10.1482 numMergedOcc 0
28 mol 93 unq 0 iso 0 dist 9.81831 4.4022 7.62611 8.13232 6.46217 6.4154 numMergedOcc 0
29 mol 93 unq 1 iso 0 dist 9.12858 8.96224 7.62611 9.79899 6.46217 6.4154 numMergedOcc 0
30 mol 93 unq 2 iso 0 dist 9.4523 10.3849 7.62611 13.6379 6.46217 6.4154 numMergedOcc 0
31 mol 109 unq 0 iso 0 dist 8.67766 7.20706 6.76575 10.8085 9.67274 4.8632 numMergedOcc 0
32 mol 109 unq 1 iso 0 dist 8.0831 5.35728 6.76575 10.1337 9.67274 4.8632 numMergedOcc 0
33 mol 114 unq 0 iso 0 dist 9.7918 7.12268 7.42482 4.97363 6.4569 3.67473 numMergedOcc 0
34 mol 147 unq 0 iso 0 dist 5.49226 11.1681 7.25644 4.19634 7.19893 13.5462 numMergedOcc 0
35 mol 147 unq 1 iso 0 dist 5.49226 11.1681 7.25644 4.45407 6.37938 13.2259 numMergedOcc 0
36 mol 147 unq 2 iso 0 dist 6.28351 5.50251 7.25644 10.2041 7.19893 13.5462 numMergedOcc 0
37 mol 147 unq 3 iso 0 dist 6.28351 5.50251 7.25644 10.5141 6.37938 13.2259 numMergedOcc 0
38 mol 156 unq 0 iso 0 dist 5.38091 5.81563 7.46845 3.79489 5.22104 5.64188 numMergedOcc 0
39 mol 158 unq 0 iso 0 dist 7.88319 6.4079 6.76055 6.60451 8.06621 9.64397 numMergedOcc 0
40 mol 158 unq 1 iso 0 dist 7.88319 4.25067 9.36343 6.60451 8.06621 5.16839 numMergedOcc 0
41 mol 162 unq 0 iso 0 dist 6.20182 4.20425 7.14263 4.51281 9.56342 6.17752 numMergedOcc 0
42 mol 162 unq 1 iso 0 dist 6.20182 6.07158 8.57005 4.51281 9.56342 8.7961 numMergedOcc 0
43 mol 175 unq 0 iso 0 dist 8.0154 6.29885 8.05247 13.8965 7.6741 10.297 numMergedOcc 0
44 mol 175 unq 1 iso 0 dist 8.0154 7.27408 9.71028 13.8965 7.6741 11.8094 numMergedOcc 0
45 mol 175 unq 2 iso 0 dist 7.35824 11.8693 5.89564 10.7092 6.90373 3.6642 numMergedOcc 0
46 mol 175 unq 3 iso 0 dist 7.35824 6.77832 5.60528 10.7092 6.90373 6.03236 numMergedOcc 0
47 mol 194 unq 0 iso 0 dist 6.96521 5.43725 7.74683 5.89218 8.95728 8.24055 numMergedOcc 0
48 mol 205 unq 0 iso 0 dist 8.44861 13.0658 9.17946 9.96193 5.19567 13.6793 numMergedOcc 0
49 mol 205 unq 1 iso 0 dist 5.60393 14.4523 9.17946 4.30308 5.19567 13.6793 numMergedOcc 0
50 mol 209 unq 0 iso 0 dist 8.41195 6.552 7.97418 5.36295 9.90699 11.5669 numMergedOcc 0
51 mol 210 unq 0 iso 0 dist 7.63018 5.85636 5.57779 11.6379 8.83523 5.88175 numMergedOcc 0
52 mol 210 unq 1 iso 0 dist 7.63018 10.0337 7.05649 11.6379 8.83523 9.89707 numMergedOcc 0
53 mol 210 unq 2 iso 0 dist 7.63018 7.67559 6.78579 11.6379 8.83523 13.4242 numMergedOcc 0
54 mol 218 unq 0 iso 0 dist 6.29367 4.92618 8.3087 10.1632 8.98941 8.98584 numMergedOcc 0
55 mol 218 unq 1 iso 0 dist 6.29367 4.92618 8.3087 6.67144 6.45381 3.90135 numMergedOcc 0
56 mol 218 unq 2 iso 0 dist 8.86175 4.92618 9.32945 9.9009 6.62738 7.3057 numMergedOcc 0
57 mol 218 unq 3 iso 0 dist 8.86175 4.92618 9.32945 11.0018 7.13254 10.5867 numMergedOcc 0
58 mol 218 unq 4 iso 0 dist 5.76954 7.84019 8.3087 13.1733 8.98941 8.98584 numMergedOcc 0
59 mol 218 unq 5 iso 0 dist 5.76954 7.84019 8.3087 8.38909 6.45381 3.90135 numMergedOcc 0
60 mol 218 unq 6 iso 0 dist 6.29511 7.84019 9.32945 10.3884 6.62738 7.3057 numMergedOcc 0
61 mol 218 unq 7 iso 0 dist 6.29511 7.84019 9.32945 11.2389 7.13254 10.5867 numMergedOcc 0
62 mol 218 unq 8 iso 0 dist 9.20961 10.9043 8.3087 15.3828 8.98941 8.98584 numMergedOcc 0
63 mol 218 unq 9 iso 0 dist 9.20961 10.9043 8.3087 12.4463 6.45381 3.90135 numMergedOcc 0
64 mol 230 unq 0 iso 0 dist 6.41286 6.33877 8.34416 10.043 6.31092 9.70239 numMergedOcc 0
65 mol 230 unq 1 iso 0 dist 6.41286 5.0515 6.34832 10.043 6.31092 6.2222 numMergedOcc 0
66 mol 252 unq 0 iso 0 dist 6.86945 6.35641 7.39391 9.93981 8.38453 3.99887 numMergedOcc 0
67 mol 253 unq 0 iso 0 dist 7.77998 5.78064 8.15091 14.6881 9.86765 10.4961 numMergedOcc 0
68 mol 253 unq 1 iso 0 dist 7.77998 5.78064 8.15091 9.46115 6.3738 5.68255 numMergedOcc 0
69 mol 264 unq 0 iso 0 dist 6.04162 6.26382 7.21655 5.82362 8.78525 10.197 numMergedOcc 0
70 mol 264 unq 1 iso 0 dist 6.14323 5.24812 7.21655 10.6043 8.78525 10.197 numMergedOcc 0
71 mol 277 unq 0 iso 0 dist 6.57903 6.28695 7.85414 14.3711 8.78893 12.1127 numMergedOcc 0
72 mol 277 unq 1 iso 0 dist 9.65707 4.39413 7.85414 13.63 8.78893 12.1127 numMergedOcc 0
73 mol 277 unq 2 iso 0 dist 9.3936 4.50065 8.81717 10.724 4.61089 11.6159 numMergedOcc 0
74 mol 282 unq 0 iso 0 dist 5.23193 7.55098 8.53065 12.1291 9.9322 9.21292 numMergedOcc 0
75 mol 282 unq 1 iso 0 dist 5.23193 6.46616 8.67489 12.1291 9.9322 17.93 numMergedOcc 0
