0 mol 7 unq 0 iso 0 dist 9.60499 6.02702 8.43473 6.55304 6.7985 6.14469 10.6581 9.0379 5.03847 9.68596 15.7311 10.25 11.2901 10.1841 9.87885 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.60499 6.7985 6.55304 8.43473 6.02702 6.14469 11.0773 11.8172 6.34041 8.72114 13.6105 10.2465 10.3333 5.5683 9.67164 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.41585 9.68596 14.7759 5.03847 10.3148 6.14469 10.5461 12.2041 6.34041 8.72114 6.88805 5.99459 10.3333 5.5683 9.67164 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.10621 8.72114 13.8829 6.34041 12.9581 6.14469 10.5461 13.2247 5.03847 9.68596 7.12508 6.1206 11.2901 10.1841 9.87885 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.57077 9.62394 9.5997 16.147 14.519 7.35972 15.1483 9.76038 8.50424 7.32257 15.0589 11.8692 12.1193 10.6575 8.30653 numMergedOcc 0
5 mol 15 unq 0 iso 0 dist 8.38064 7.07399 4.29582 4.39605 7.48342 6.03257 10.6338 11.7498 10.1154 6.42748 5.49251 9.84471 6.23015 5.20798 8.85174 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.86014 7.33768 4.32034 6.66749 9.41441 8.00171 11.0194 11.4989 11.9112 6.73939 17.5858 17.6792 17.8878 12.5545 6.6219 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 6.86014 7.33768 4.32034 6.66749 9.41441 8.00171 11.0194 11.4989 11.9112 6.73939 8.91183 12.5088 11.9029 4.08755 5.68215 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 6.86014 9.01567 8.67951 6.66749 9.41441 4.2121 11.0194 11.4989 4.50066 6.73939 17.5858 17.6792 10.1229 12.5545 6.6219 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 6.86014 9.01567 8.67951 6.66749 9.41441 4.2121 11.0194 11.4989 4.50066 6.73939 8.91183 12.5088 6.19899 4.08755 5.68215 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 6.86014 7.29868 8.52463 6.66749 9.41441 6.72323 11.0194 11.4989 5.11617 6.73939 17.5858 17.6792 11.3231 12.5545 6.6219 numMergedOcc 0
11 mol 24 unq 5 iso 0 dist 6.86014 7.29868 8.52463 6.66749 9.41441 6.72323 11.0194 11.4989 5.11617 6.73939 8.91183 12.5088 6.61696 4.08755 5.68215 numMergedOcc 0
12 mol 24 unq 6 iso 0 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 8.86116 10.0952 14.012 8.60554 11.6226 16.0162 19.932 15.4445 8.09311 numMergedOcc 0
13 mol 24 unq 7 iso 0 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 8.86116 10.0952 14.012 8.60554 13.1949 16.8554 17.7407 11.8971 9.05357 numMergedOcc 0
14 mol 24 unq 8 iso 0 dist 8.86116 8.60554 8.52463 14.012 9.41441 6.72323 13.2433 11.4989 5.11617 6.73939 18.6847 17.6792 11.3231 12.5545 6.6219 numMergedOcc 0
15 mol 24 unq 9 iso 0 dist 8.86116 8.60554 8.52463 14.012 9.41441 6.72323 13.2433 11.4989 5.11617 6.73939 14.8647 12.5088 6.61696 4.08755 5.68215 numMergedOcc 0
16 mol 24 unq 10 iso 0 dist 8.38394 8.60554 12.3994 14.012 15.392 6.72323 8.86116 6.44287 8.52463 9.41441 5.11636 10.9819 5.80953 10.0453 7.95042 numMergedOcc 0
17 mol 24 unq 11 iso 0 dist 8.38394 8.60554 12.3994 14.012 15.392 6.72323 13.2433 15.4364 5.11617 6.73939 18.6847 20.7191 11.3231 12.5545 6.6219 numMergedOcc 0
18 mol 24 unq 12 iso 0 dist 8.38394 8.60554 12.3994 14.012 15.392 6.72323 13.2433 15.4364 5.11617 6.73939 14.8647 17.9146 6.61696 4.08755 5.68215 numMergedOcc 0
19 mol 24 unq 13 iso 0 dist 5.54419 8.4051 5.11617 12.176 6.73939 6.72323 15.5324 11.4989 8.52463 9.41441 13.6174 10.9113 5.80953 10.0453 7.95042 numMergedOcc 0
20 mol 24 unq 14 iso 0 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 13.2433 14.6259 14.012 8.60554 19.1966 20.3516 19.932 15.4445 8.09311 numMergedOcc 0
21 mol 24 unq 15 iso 0 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 13.2433 14.6259 14.012 8.60554 13.7225 12.5061 17.7407 11.8971 9.05357 numMergedOcc 0
22 mol 24 unq 16 iso 0 dist 7.36323 8.4051 13.2229 12.176 18.673 6.72323 15.5324 19.2131 8.52463 9.41441 13.6174 16.707 5.80953 10.0453 7.95042 numMergedOcc 0
23 mol 24 unq 17 iso 0 dist 7.36323 8.4051 13.2229 12.176 18.673 6.72323 5.54419 12.3067 5.11617 6.73939 4.82629 11.0181 11.3231 12.5545 6.6219 numMergedOcc 0
24 mol 24 unq 18 iso 0 dist 7.36323 8.4051 13.2229 12.176 18.673 6.72323 5.54419 12.3067 5.11617 6.73939 10.1698 17.003 6.61696 4.08755 5.68215 numMergedOcc 0
25 mol 25 unq 0 iso 0 dist 5.04899 8.87757 5.77929 7.33728 7.45383 6.25843 11.9561 10.9391 6.08585 6.16347 11.6045 12.3944 9.35791 5.46578 4.79873 numMergedOcc 0
26 mol 25 unq 1 iso 0 dist 5.04899 8.87757 5.77929 7.33728 7.45383 6.25843 11.9561 10.9391 6.08585 6.16347 13.6145 9.49421 6.53269 9.62058 9.48085 numMergedOcc 0
27 mol 25 unq 2 iso 0 dist 7.57578 6.16347 9.34396 6.08585 8.50222 6.25843 11.9561 15.5644 7.33728 8.87757 5.63212 10.9703 5.20109 3.904 7.05196 numMergedOcc 0
28 mol 25 unq 3 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 12.7009 10.9391 5.77929 7.45383 13.2447 11.037 9.16515 4.98822 6.55597 numMergedOcc 0
29 mol 25 unq 4 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 12.7009 10.9391 5.77929 7.45383 18.6183 16.4232 12.7995 11.0227 7.52933 numMergedOcc 0
30 mol 25 unq 5 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 12.7009 10.9391 5.77929 7.45383 11.3512 14.581 11.5214 10.3547 9.71956 numMergedOcc 0
31 mol 25 unq 6 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 12.7009 10.9391 5.77929 7.45383 11.8139 13.0315 9.82987 7.91914 7.07751 numMergedOcc 0
32 mol 25 unq 7 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 12.7009 10.9391 5.77929 7.45383 17.5134 17.2964 13.3492 11.7069 8.23761 numMergedOcc 0
33 mol 25 unq 8 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 12.7009 10.9391 5.77929 7.45383 5.18617 9.48085 6.53269 9.62058 9.49421 numMergedOcc 0
34 mol 25 unq 9 iso 0 dist 7.57578 8.50222 6.08585 10.5328 13.8469 8.88938 12.7009 10.9391 5.77929 9.01548 13.2447 11.037 9.16515 13.4321 6.55597 numMergedOcc 0
35 mol 25 unq 10 iso 0 dist 7.57578 8.50222 6.08585 10.5328 13.8469 8.88938 12.7009 10.9391 5.77929 9.01548 11.3512 14.581 11.5214 8.84447 9.71956 numMergedOcc 0
36 mol 25 unq 11 iso 0 dist 7.57578 8.50222 6.08585 10.5328 13.8469 8.88938 12.7009 10.9391 5.77929 9.01548 11.8139 13.0315 9.82987 9.66912 7.07751 numMergedOcc 0
37 mol 25 unq 12 iso 0 dist 7.57578 8.50222 6.08585 10.5328 13.8469 8.88938 12.7009 10.9391 5.77929 9.01548 17.5134 17.2964 13.3492 13.1117 8.23761 numMergedOcc 0
38 mol 25 unq 13 iso 0 dist 7.57578 8.50222 6.08585 10.5328 13.8469 8.88938 12.7009 10.9391 5.77929 9.01548 18.6183 16.4232 12.7995 15.1255 7.52933 numMergedOcc 0
39 mol 25 unq 14 iso 0 dist 7.57578 8.50222 6.08585 10.5328 13.8469 8.88938 12.7009 10.9391 5.77929 9.01548 5.18617 9.48085 6.53269 5.38592 9.49421 numMergedOcc 0
40 mol 25 unq 15 iso 0 dist 7.17969 6.16347 10.8498 6.08585 7.55264 6.25843 11.9561 16.1048 7.33728 8.87757 5.63212 10.3338 5.20109 3.904 7.05196 numMergedOcc 0
41 mol 25 unq 16 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 12.8117 10.9391 5.77929 7.45383 14.9982 11.037 9.16515 4.98822 6.55597 numMergedOcc 0
42 mol 25 unq 17 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 12.8117 10.9391 5.77929 7.45383 19.7151 16.4232 12.7995 11.0227 7.52933 numMergedOcc 0
43 mol 25 unq 18 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 12.8117 10.9391 5.77929 7.45383 14.0853 14.581 11.5214 10.3547 9.71956 numMergedOcc 0
44 mol 25 unq 19 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 12.8117 10.9391 5.77929 7.45383 14.1251 13.0315 9.82987 7.91914 7.07751 numMergedOcc 0
45 mol 25 unq 20 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 12.8117 10.9391 5.77929 7.45383 19.2117 17.2964 13.3492 11.7069 8.23761 numMergedOcc 0
46 mol 25 unq 21 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 12.8117 10.9391 5.77929 7.45383 5.68041 9.48085 6.53269 9.62058 9.49421 numMergedOcc 0
47 mol 25 unq 22 iso 0 dist 7.17969 7.55264 6.08585 10.4337 13.8469 8.88938 12.8117 10.9391 5.77929 9.01548 14.9982 11.037 9.16515 13.4321 6.55597 numMergedOcc 0
48 mol 25 unq 23 iso 0 dist 7.17969 7.55264 6.08585 10.4337 13.8469 8.88938 12.8117 10.9391 5.77929 9.01548 14.0853 14.581 11.5214 8.84447 9.71956 numMergedOcc 0
49 mol 25 unq 24 iso 0 dist 7.17969 7.55264 6.08585 10.4337 13.8469 8.88938 12.8117 10.9391 5.77929 9.01548 14.1251 13.0315 9.82987 9.66912 7.07751 numMergedOcc 0
50 mol 25 unq 25 iso 0 dist 7.17969 7.55264 6.08585 10.4337 13.8469 8.88938 12.8117 10.9391 5.77929 9.01548 19.2117 17.2964 13.3492 13.1117 8.23761 numMergedOcc 0
51 mol 25 unq 26 iso 0 dist 7.17969 7.55264 6.08585 10.4337 13.8469 8.88938 12.8117 10.9391 5.77929 9.01548 19.7151 16.4232 12.7995 15.1255 7.52933 numMergedOcc 0
52 mol 25 unq 27 iso 0 dist 7.17969 7.55264 6.08585 10.4337 13.8469 8.88938 12.8117 10.9391 5.77929 9.01548 5.68041 9.48085 6.53269 5.38592 9.49421 numMergedOcc 0
53 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 6.10456 8.40073 9.67482 4.47349 10.4782 9.81956 8.46823 3.92737 7.54889 numMergedOcc 0
54 mol 98 unq 1 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 6.10456 8.40073 9.67482 4.47349 3.9764 5.10496 4.62494 3.94967 5.2571 numMergedOcc 0
55 mol 98 unq 2 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 10.1136 10.2427 12.0974 5.65185 10.4782 9.81956 8.46823 3.92737 7.78931 numMergedOcc 0
56 mol 98 unq 3 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 10.1136 10.2427 12.0974 5.65185 3.9764 5.10496 4.62494 3.94967 8.7497 numMergedOcc 0
57 mol 98 unq 4 iso 0 dist 6.48948 6.65501 7.42446 7.06961 9.42961 6.88901 5.08437 9.51923 4.4057 6.7117 3.9764 5.92242 4.62494 3.94967 5.10496 numMergedOcc 0
58 mol 98 unq 5 iso 0 dist 6.48948 6.65501 7.42446 7.06961 9.42961 6.88901 6.10456 9.42358 9.67482 4.47349 10.4782 10.8223 8.46823 3.92737 7.54889 numMergedOcc 0
59 mol 98 unq 6 iso 0 dist 6.48948 6.65501 7.42446 7.06961 9.42961 6.88901 6.10456 9.42358 9.67482 4.47349 3.9764 5.92242 4.62494 3.94967 5.2571 numMergedOcc 0
60 mol 98 unq 7 iso 0 dist 6.48948 6.65501 7.42446 7.06961 9.42961 6.88901 10.1136 13.9786 12.0974 5.65185 10.4782 10.8223 8.46823 3.92737 7.78931 numMergedOcc 0
61 mol 98 unq 8 iso 0 dist 6.48948 6.65501 7.42446 7.06961 9.42961 6.88901 10.1136 13.9786 12.0974 5.65185 3.9764 5.92242 4.62494 3.94967 8.7497 numMergedOcc 0
62 mol 98 unq 9 iso 0 dist 6.10456 6.65501 9.67482 7.06961 4.47349 6.88901 5.08437 8.40073 4.4057 6.7117 3.9764 5.2571 4.62494 3.94967 5.10496 numMergedOcc 0
63 mol 98 unq 10 iso 0 dist 6.10456 6.65501 9.67482 7.06961 4.47349 6.88901 10.1136 5.02887 12.0974 5.65185 10.4782 7.54889 8.46823 3.92737 7.78931 numMergedOcc 0
64 mol 98 unq 11 iso 0 dist 6.10456 6.65501 9.67482 7.06961 4.47349 6.88901 10.1136 5.02887 12.0974 5.65185 3.9764 5.2571 4.62494 3.94967 8.7497 numMergedOcc 0
65 mol 100 unq 0 iso 0 dist 9.60661 7.01812 5.80144 10.6848 14.8081 9.5057 10.1489 10.8375 5.42531 7.80975 9.81953 13.2137 10.3057 15.0328 9.90751 numMergedOcc 0
66 mol 100 unq 1 iso 0 dist 9.60661 7.01812 5.80144 10.6848 14.8081 9.5057 10.1489 10.8375 5.42531 7.80975 4.03277 8.91882 6.59691 12.48 9.21662 numMergedOcc 0
67 mol 100 unq 2 iso 0 dist 7.17106 7.01812 8.4128 10.6848 7.10378 9.5057 10.1489 10.8586 5.42531 7.80975 9.81953 15.6594 10.3057 15.0328 9.90751 numMergedOcc 0
68 mol 100 unq 3 iso 0 dist 7.17106 7.01812 8.4128 10.6848 7.10378 9.5057 10.1489 10.8586 5.42531 7.80975 4.03277 10.5432 6.59691 12.48 9.21662 numMergedOcc 0
69 mol 100 unq 4 iso 0 dist 9.35224 7.01812 10.0456 10.6848 15.2289 9.5057 10.1489 15.1999 5.42531 7.80975 9.81953 17.5792 10.3057 15.0328 9.90751 numMergedOcc 0
70 mol 100 unq 5 iso 0 dist 9.35224 7.01812 10.0456 10.6848 15.2289 9.5057 10.1489 15.1999 5.42531 7.80975 4.03277 11.5088 6.59691 12.48 9.21662 numMergedOcc 0
71 mol 100 unq 6 iso 0 dist 7.47343 8.30845 12.2861 15.3454 21.075 9.5057 13.2001 16.3949 5.42531 7.80975 12.0341 12.4084 10.3057 15.0328 9.90751 numMergedOcc 0
72 mol 100 unq 7 iso 0 dist 7.47343 8.30845 12.2861 15.3454 21.075 9.5057 13.2001 16.3949 5.42531 7.80975 6.23008 9.76432 6.59691 12.48 9.21662 numMergedOcc 0
73 mol 100 unq 8 iso 0 dist 6.65086 8.30845 5.80144 15.3454 14.8081 9.5057 13.2001 10.8375 5.42531 7.80975 12.0341 13.2137 10.3057 15.0328 9.90751 numMergedOcc 0
74 mol 100 unq 9 iso 0 dist 6.65086 8.30845 5.80144 15.3454 14.8081 9.5057 13.2001 10.8375 5.42531 7.80975 6.23008 8.91882 6.59691 12.48 9.21662 numMergedOcc 0
75 mol 100 unq 10 iso 0 dist 6.56369 8.30845 10.0456 15.3454 15.2289 9.5057 13.2001 15.1999 5.42531 7.80975 12.0341 17.5792 10.3057 15.0328 9.90751 numMergedOcc 0
76 mol 100 unq 11 iso 0 dist 6.56369 8.30845 10.0456 15.3454 15.2289 9.5057 13.2001 15.1999 5.42531 7.80975 6.23008 11.5088 6.59691 12.48 9.21662 numMergedOcc 0
77 mol 100 unq 12 iso 0 dist 9.30209 8.30845 6.70236 15.3454 12.6004 9.5057 13.2001 11.2306 5.42531 7.80975 12.0341 16.5929 10.3057 15.0328 9.90751 numMergedOcc 0
78 mol 100 unq 13 iso 0 dist 9.30209 8.30845 6.70236 15.3454 12.6004 9.5057 13.2001 11.2306 5.42531 7.80975 6.23008 11.6812 6.59691 12.48 9.21662 numMergedOcc 0
79 mol 129 unq 0 iso 0 dist 9.61051 6.28565 6.30169 10.7293 16.0242 9.73158 5.83384 9.05135 4.55551 9.36851 9.00231 14.5521 9.8591 9.30433 5.58833 numMergedOcc 0
80 mol 129 unq 1 iso 0 dist 9.61051 6.28565 6.30169 7.29399 13.4182 7.59327 5.83384 9.05135 4.55551 4.97175 9.00231 14.5521 9.8591 4.28744 5.58833 numMergedOcc 0
81 mol 134 unq 0 iso 0 dist 9.89303 5.83771 7.41674 4.60632 7.69991 6.40575 9.93925 5.00526 9.87376 6.23142 10.6898 11.2896 10.1824 6.93712 9.33094 numMergedOcc 0
82 mol 134 unq 1 iso 0 dist 9.89303 5.83771 7.41674 4.60632 7.69991 6.40575 14.423 11.3271 14.9876 9.94764 15.5729 12.4385 13.3808 11.5269 9.1998 numMergedOcc 0
83 mol 134 unq 2 iso 0 dist 9.89303 5.83771 7.41674 4.60632 7.69991 6.40575 14.423 11.3271 14.9876 9.94764 10.6898 11.2896 10.1824 6.93712 8.69531 numMergedOcc 0
84 mol 134 unq 3 iso 0 dist 6.54501 7.80532 7.41674 5.71679 7.69991 6.40575 6.49416 5.00526 9.87376 6.23142 12.3479 11.2896 10.1824 6.93712 9.33094 numMergedOcc 0
85 mol 134 unq 4 iso 0 dist 6.54501 7.80532 7.41674 5.71679 7.69991 6.40575 12.5075 11.3271 14.9876 9.94764 15.9138 12.4385 13.3808 11.5269 9.1998 numMergedOcc 0
86 mol 134 unq 5 iso 0 dist 6.54501 7.80532 7.41674 5.71679 7.69991 6.40575 12.5075 11.3271 14.9876 9.94764 12.3479 11.2896 10.1824 6.93712 8.69531 numMergedOcc 0
87 mol 134 unq 6 iso 0 dist 6.49416 7.80532 9.87376 5.71679 6.23142 6.40575 12.5075 6.81259 14.9876 9.94764 15.9138 11.0808 13.3808 11.5269 9.1998 numMergedOcc 0
88 mol 134 unq 7 iso 0 dist 6.49416 7.80532 9.87376 5.71679 6.23142 6.40575 12.5075 6.81259 14.9876 9.94764 12.3479 9.33094 10.1824 6.93712 8.69531 numMergedOcc 0
89 mol 181 unq 0 iso 0 dist 8.03334 6.46704 4.43096 7.81713 6.2479 7.32087 10.9639 6.01247 6.06566 6.22122 6.50233 9.76212 7.35884 6.39406 8.59874 numMergedOcc 0
90 mol 181 unq 1 iso 0 dist 8.03334 6.59025 8.04639 7.81713 6.2479 8.86197 10.9639 6.01247 13.0409 6.22122 6.50233 9.76212 11.6588 6.39406 8.59874 numMergedOcc 0
