0 mol 11 unq 0 iso 0 dist 6.35398 10.9183 7.98326 15.1065 9.74251 6.859 17.503 13.8584 6.86684 6.54358 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 7.48342 4.29582 6.03257 9.84471 5.20798 6.23015 11.7498 6.42748 10.1154 8.85174 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.41441 12.2662 5.95834 17.6792 12.5545 9.73647 11.4989 6.73939 6.56748 6.6219 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.41441 12.2662 5.95834 12.5088 4.08755 7.26334 11.4989 6.73939 6.56748 5.68215 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.41441 8.67951 4.2121 12.5088 4.08755 6.19899 11.4989 6.73939 4.50066 5.68215 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 9.41441 8.52463 6.72323 12.5088 4.08755 6.61696 11.4989 6.73939 5.11617 5.68215 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 6.73939 5.11617 6.72323 10.9113 10.0453 5.80953 11.4989 9.41441 8.52463 7.95042 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 6.16347 6.08585 6.25843 11.037 4.98822 9.16515 10.9391 7.45383 5.77929 6.55597 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 6.16347 6.08585 6.25843 13.0315 7.91914 9.82987 10.9391 7.45383 5.77929 7.07751 numMergedOcc 0
9 mol 25 unq 2 iso 0 dist 6.16347 6.08585 6.25843 9.48085 9.62058 6.53269 10.9391 7.45383 5.77929 9.49421 numMergedOcc 0
10 mol 25 unq 3 iso 0 dist 7.45383 5.77929 6.25843 9.49421 9.62058 6.53269 10.9391 6.16347 6.08585 9.48085 numMergedOcc 0
11 mol 25 unq 4 iso 0 dist 9.01548 5.77929 8.88938 9.49421 5.38592 6.53269 10.9391 13.8469 6.08585 9.48085 numMergedOcc 0
12 mol 25 unq 5 iso 0 dist 8.50222 9.34396 6.25843 10.9703 3.904 5.20109 15.5644 8.87757 7.33728 7.05196 numMergedOcc 0
13 mol 25 unq 6 iso 0 dist 7.55264 10.8498 6.25843 10.3338 3.904 5.20109 16.1048 8.87757 7.33728 7.05196 numMergedOcc 0
14 mol 60 unq 0 iso 0 dist 9.90939 5.94827 8.97364 8.4312 5.85676 6.63448 5.67502 10.1323 9.49968 7.57295 numMergedOcc 0
15 mol 60 unq 1 iso 0 dist 9.90939 5.94827 8.97364 8.4312 5.85676 6.63448 5.00018 11.6165 5.32257 7.48086 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 6.7117 7.94178 7.36769 9.81956 3.92737 9.25444 18.6405 12.5931 18.5442 9.64383 numMergedOcc 0
17 mol 98 unq 1 iso 0 dist 6.7117 7.94178 7.36769 9.81956 3.92737 9.25444 8.40073 4.47349 9.85543 7.54889 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 6.7117 7.94178 7.36769 9.81956 3.92737 9.25444 10.2427 5.65185 7.28361 7.78931 numMergedOcc 0
19 mol 98 unq 3 iso 0 dist 6.7117 7.94178 7.36769 5.10496 3.94967 9.84703 9.51923 9.42961 15.7178 5.92242 numMergedOcc 0
20 mol 98 unq 4 iso 0 dist 6.7117 7.94178 7.36769 5.10496 3.94967 9.84703 8.40073 4.47349 9.85543 5.2571 numMergedOcc 0
21 mol 98 unq 5 iso 0 dist 6.7117 7.94178 7.36769 5.10496 3.94967 9.84703 10.2427 5.65185 7.28361 8.7497 numMergedOcc 0
22 mol 98 unq 6 iso 0 dist 6.7117 4.4057 6.88901 9.81956 3.92737 8.46823 18.6405 12.5931 16.4267 9.64383 numMergedOcc 0
23 mol 98 unq 7 iso 0 dist 6.7117 4.4057 6.88901 9.81956 3.92737 8.46823 8.40073 4.47349 9.67482 7.54889 numMergedOcc 0
24 mol 98 unq 8 iso 0 dist 6.7117 4.4057 6.88901 9.81956 3.92737 8.46823 10.2427 5.65185 12.0974 7.78931 numMergedOcc 0
25 mol 98 unq 9 iso 0 dist 6.7117 4.4057 6.88901 5.10496 3.94967 4.62494 9.51923 9.42961 7.42446 5.92242 numMergedOcc 0
26 mol 98 unq 10 iso 0 dist 6.7117 4.4057 6.88901 5.10496 3.94967 4.62494 8.40073 4.47349 9.67482 5.2571 numMergedOcc 0
27 mol 98 unq 11 iso 0 dist 6.7117 4.4057 6.88901 5.10496 3.94967 4.62494 10.2427 5.65185 12.0974 8.7497 numMergedOcc 0
28 mol 98 unq 12 iso 0 dist 4.47349 9.85543 7.36769 7.54889 3.92737 9.25444 13.659 12.5931 18.5442 9.64383 numMergedOcc 0
29 mol 98 unq 13 iso 0 dist 4.47349 9.85543 7.36769 7.54889 3.92737 9.25444 5.02887 5.65185 7.28361 7.78931 numMergedOcc 0
30 mol 98 unq 14 iso 0 dist 4.47349 9.85543 7.36769 5.2571 3.94967 9.84703 8.40073 6.7117 7.94178 5.10496 numMergedOcc 0
31 mol 98 unq 15 iso 0 dist 4.47349 9.85543 7.36769 5.2571 3.94967 9.84703 9.42358 9.42961 15.7178 5.92242 numMergedOcc 0
32 mol 98 unq 16 iso 0 dist 4.47349 9.85543 7.36769 5.2571 3.94967 9.84703 5.02887 5.65185 7.28361 8.7497 numMergedOcc 0
33 mol 98 unq 17 iso 0 dist 4.47349 9.67482 6.88901 7.54889 3.92737 8.46823 13.659 12.5931 16.4267 9.64383 numMergedOcc 0
34 mol 98 unq 18 iso 0 dist 4.47349 9.67482 6.88901 7.54889 3.92737 8.46823 5.02887 5.65185 12.0974 7.78931 numMergedOcc 0
35 mol 98 unq 19 iso 0 dist 4.47349 9.67482 6.88901 5.2571 3.94967 4.62494 8.40073 6.7117 4.4057 5.10496 numMergedOcc 0
36 mol 98 unq 20 iso 0 dist 4.47349 9.67482 6.88901 5.2571 3.94967 4.62494 9.42358 9.42961 7.42446 5.92242 numMergedOcc 0
37 mol 98 unq 21 iso 0 dist 4.47349 9.67482 6.88901 5.2571 3.94967 4.62494 5.02887 5.65185 12.0974 8.7497 numMergedOcc 0
38 mol 98 unq 22 iso 0 dist 5.65185 7.28361 7.36769 7.78931 3.92737 9.25444 14.591 12.5931 18.5442 9.64383 numMergedOcc 0
39 mol 98 unq 23 iso 0 dist 5.65185 7.28361 7.36769 7.78931 3.92737 9.25444 5.02887 4.47349 9.85543 7.54889 numMergedOcc 0
40 mol 98 unq 24 iso 0 dist 5.65185 7.28361 7.36769 8.7497 3.94967 9.84703 10.2427 6.7117 7.94178 5.10496 numMergedOcc 0
41 mol 98 unq 25 iso 0 dist 5.65185 7.28361 7.36769 8.7497 3.94967 9.84703 13.9786 9.42961 15.7178 5.92242 numMergedOcc 0
42 mol 98 unq 26 iso 0 dist 5.65185 7.28361 7.36769 8.7497 3.94967 9.84703 5.02887 4.47349 9.85543 5.2571 numMergedOcc 0
43 mol 98 unq 27 iso 0 dist 5.65185 12.0974 6.88901 7.78931 3.92737 8.46823 14.591 12.5931 16.4267 9.64383 numMergedOcc 0
44 mol 98 unq 28 iso 0 dist 5.65185 12.0974 6.88901 7.78931 3.92737 8.46823 5.02887 4.47349 9.67482 7.54889 numMergedOcc 0
45 mol 98 unq 29 iso 0 dist 5.65185 12.0974 6.88901 8.7497 3.94967 4.62494 10.2427 6.7117 4.4057 5.10496 numMergedOcc 0
46 mol 98 unq 30 iso 0 dist 5.65185 12.0974 6.88901 8.7497 3.94967 4.62494 13.9786 9.42961 7.42446 5.92242 numMergedOcc 0
47 mol 98 unq 31 iso 0 dist 5.65185 12.0974 6.88901 8.7497 3.94967 4.62494 5.02887 4.47349 9.67482 5.2571 numMergedOcc 0
48 mol 100 unq 0 iso 0 dist 7.80975 5.42531 9.5057 9.21662 12.48 6.59691 10.8375 14.8081 5.80144 8.91882 numMergedOcc 0
49 mol 100 unq 1 iso 0 dist 7.10378 8.4128 9.5057 10.5432 12.48 6.59691 11.5403 14.8081 5.80144 8.91882 numMergedOcc 0
50 mol 100 unq 2 iso 0 dist 7.10378 8.4128 9.5057 10.5432 12.48 6.59691 10.8586 7.80975 5.42531 9.21662 numMergedOcc 0
51 mol 134 unq 0 iso 0 dist 5.83771 4.60632 6.40575 13.0242 15.0575 9.0176 9.51251 10.8985 7.1797 9.66543 numMergedOcc 0
52 mol 134 unq 1 iso 0 dist 5.83771 4.60632 6.40575 13.0242 15.0575 9.0176 6.86927 10.5252 4.57832 7.21868 numMergedOcc 0
53 mol 134 unq 2 iso 0 dist 5.83771 4.60632 6.40575 13.0242 15.0575 9.0176 7.11631 10.7586 5.29786 7.93372 numMergedOcc 0
54 mol 134 unq 3 iso 0 dist 7.80532 5.71679 6.40575 11.988 15.0575 9.0176 12.8168 10.8985 7.1797 9.66543 numMergedOcc 0
55 mol 134 unq 4 iso 0 dist 7.80532 5.71679 6.40575 11.988 15.0575 9.0176 8.80819 10.5252 4.57832 7.21868 numMergedOcc 0
56 mol 134 unq 5 iso 0 dist 7.80532 5.71679 6.40575 11.988 15.0575 9.0176 5.00817 10.7586 5.29786 7.93372 numMergedOcc 0
57 mol 141 unq 0 iso 0 dist 9.97343 10.1432 6.83404 11.5913 10.0208 5.92302 6.21253 11.0743 10.1386 8.07097 numMergedOcc 0
58 mol 141 unq 1 iso 0 dist 9.70413 7.27731 6.83404 13.0178 10.0208 5.92302 14.7832 11.0743 10.1386 8.07097 numMergedOcc 0
59 mol 181 unq 0 iso 0 dist 6.2479 4.43096 7.32087 9.76212 6.39406 7.35884 6.01247 6.22122 6.06566 8.59874 numMergedOcc 0
60 mol 181 unq 1 iso 0 dist 6.22122 6.06566 7.32087 8.59874 6.39406 7.35884 6.01247 6.2479 4.43096 9.76212 numMergedOcc 0
61 mol 181 unq 2 iso 0 dist 9.72611 12.7358 7.22883 18.76 14.2282 8.12266 18.3341 11.9764 5.63555 6.64173 numMergedOcc 0
62 mol 181 unq 3 iso 0 dist 9.72611 12.7358 7.22883 18.6809 10.273 9.43306 18.3341 11.9764 5.63555 9.55105 numMergedOcc 0
63 mol 181 unq 4 iso 0 dist 7.99195 12.2164 7.32087 13.2783 6.39406 7.35884 8.88798 6.2479 4.43096 9.76212 numMergedOcc 0
64 mol 181 unq 5 iso 0 dist 7.99195 12.2164 7.32087 13.2783 6.39406 7.35884 12.6324 6.22122 6.06566 8.59874 numMergedOcc 0
65 mol 274 unq 0 iso 0 dist 9.85289 5.29529 6.88827 12.8334 13.3632 8.60027 9.15171 12.2077 6.70925 6.4611 numMergedOcc 0
