0 mol 7 unq 0 iso 0 dist 9.68596 9.87885 10.1841 5.03847 6.14469 11.2901 10.6581 6.55304 15.7311 6.02702 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.68596 9.87885 10.1841 5.03847 6.14469 11.2901 10.5461 6.34041 7.12508 8.72114 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.72114 9.67164 5.5683 6.34041 6.14469 10.3333 11.0773 8.43473 13.6105 6.7985 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 8.72114 9.67164 5.5683 6.34041 6.14469 10.3333 10.5461 5.03847 6.88805 9.68596 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 7.32257 8.30653 10.6575 8.50424 7.35972 12.1193 15.1483 16.147 15.0589 9.62394 numMergedOcc 0
5 mol 15 unq 0 iso 0 dist 6.42748 8.85174 5.20798 10.1154 6.03257 6.23015 11.3543 9.75966 6.91314 5.89412 numMergedOcc 0
6 mol 15 unq 1 iso 0 dist 6.42748 8.85174 5.20798 10.1154 6.03257 6.23015 10.6338 4.39605 5.49251 7.07399 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 9.41441 7.95042 10.0453 4.32034 8.00171 10.8435 6.86014 6.66749 5.69214 7.33768 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 9.41441 7.95042 10.0453 8.67951 4.2121 10.8068 6.86014 6.66749 5.69214 9.01567 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 9.41441 7.95042 10.0453 8.52463 6.72323 5.80953 15.5324 12.176 13.6174 8.4051 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 9.41441 7.95042 10.0453 8.52463 6.72323 5.80953 6.86014 6.66749 5.69214 7.29868 numMergedOcc 0
11 mol 24 unq 4 iso 0 dist 9.41441 7.95042 10.0453 8.52463 6.72323 5.80953 8.86116 14.012 5.11636 8.60554 numMergedOcc 0
12 mol 24 unq 5 iso 0 dist 6.73939 6.6219 12.5545 4.50066 4.2121 10.1229 11.0194 6.66749 17.5858 9.01567 numMergedOcc 0
13 mol 24 unq 6 iso 0 dist 6.73939 6.6219 12.5545 11.9112 8.00171 17.8878 11.0194 6.66749 17.5858 7.33768 numMergedOcc 0
14 mol 24 unq 7 iso 0 dist 6.73939 6.6219 12.5545 5.11617 6.72323 11.3231 5.54419 12.176 4.82629 8.4051 numMergedOcc 0
15 mol 24 unq 8 iso 0 dist 6.73939 6.6219 12.5545 5.11617 6.72323 11.3231 11.0194 6.66749 17.5858 7.29868 numMergedOcc 0
16 mol 24 unq 9 iso 0 dist 6.73939 6.6219 12.5545 5.11617 6.72323 11.3231 13.2433 14.012 18.6847 8.60554 numMergedOcc 0
17 mol 24 unq 10 iso 0 dist 6.73939 5.68215 4.08755 4.50066 4.2121 6.19899 11.0194 6.66749 8.91183 9.01567 numMergedOcc 0
18 mol 24 unq 11 iso 0 dist 6.73939 5.68215 4.08755 11.9112 8.00171 11.9029 11.0194 6.66749 8.91183 7.33768 numMergedOcc 0
19 mol 24 unq 12 iso 0 dist 6.73939 5.68215 4.08755 5.11617 6.72323 6.61696 5.54419 12.176 10.1698 8.4051 numMergedOcc 0
20 mol 24 unq 13 iso 0 dist 6.73939 5.68215 4.08755 5.11617 6.72323 6.61696 11.0194 6.66749 8.91183 7.29868 numMergedOcc 0
21 mol 24 unq 14 iso 0 dist 6.73939 5.68215 4.08755 5.11617 6.72323 6.61696 13.2433 14.012 14.8647 8.60554 numMergedOcc 0
22 mol 24 unq 15 iso 0 dist 8.60554 8.09311 15.4445 14.012 6.72323 19.932 8.86116 8.52463 11.6226 9.41441 numMergedOcc 0
23 mol 24 unq 16 iso 0 dist 8.60554 8.09311 15.4445 14.012 6.72323 19.932 13.2433 5.11617 19.1966 6.73939 numMergedOcc 0
24 mol 24 unq 17 iso 0 dist 8.60554 9.05357 11.8971 14.012 6.72323 17.7407 8.86116 8.52463 13.1949 9.41441 numMergedOcc 0
25 mol 24 unq 18 iso 0 dist 8.60554 9.05357 11.8971 14.012 6.72323 17.7407 13.2433 5.11617 13.7225 6.73939 numMergedOcc 0
26 mol 25 unq 0 iso 0 dist 8.87757 7.05196 3.904 7.33728 6.25843 5.20109 11.9561 6.08585 5.63212 6.16347 numMergedOcc 0
27 mol 25 unq 1 iso 0 dist 8.87757 7.05196 3.904 7.33728 6.25843 5.20109 5.04899 5.77929 6.47509 7.45383 numMergedOcc 0
28 mol 25 unq 2 iso 0 dist 8.87757 7.05196 3.904 13.9331 8.88938 12.506 5.04899 5.77929 6.47509 9.01548 numMergedOcc 0
29 mol 25 unq 3 iso 0 dist 6.16347 4.79873 5.46578 6.08585 6.25843 9.35791 11.9561 7.33728 11.6045 8.87757 numMergedOcc 0
30 mol 25 unq 4 iso 0 dist 6.16347 4.79873 5.46578 6.08585 6.25843 9.35791 7.57578 9.34396 10.2864 8.50222 numMergedOcc 0
31 mol 25 unq 5 iso 0 dist 6.16347 4.79873 5.46578 6.08585 6.25843 9.35791 7.17969 10.8498 11.4148 7.55264 numMergedOcc 0
32 mol 25 unq 6 iso 0 dist 6.16347 9.48085 9.62058 6.08585 6.25843 6.53269 11.9561 7.33728 13.6145 8.87757 numMergedOcc 0
33 mol 25 unq 7 iso 0 dist 6.16347 9.48085 9.62058 6.08585 6.25843 6.53269 7.57578 9.34396 5.18617 8.50222 numMergedOcc 0
34 mol 25 unq 8 iso 0 dist 6.16347 9.48085 9.62058 6.08585 6.25843 6.53269 7.17969 10.8498 5.68041 7.55264 numMergedOcc 0
35 mol 25 unq 9 iso 0 dist 7.45383 7.52933 11.0227 5.77929 6.25843 12.7995 5.04899 7.33728 5.03027 8.87757 numMergedOcc 0
36 mol 25 unq 10 iso 0 dist 7.45383 7.52933 11.0227 5.77929 6.25843 12.7995 12.7009 9.34396 18.6183 8.50222 numMergedOcc 0
37 mol 25 unq 11 iso 0 dist 7.45383 7.52933 11.0227 5.77929 6.25843 12.7995 12.8117 10.8498 19.7151 7.55264 numMergedOcc 0
38 mol 25 unq 12 iso 0 dist 7.45383 6.55597 4.98822 5.77929 6.25843 9.16515 5.04899 7.33728 4.69295 8.87757 numMergedOcc 0
39 mol 25 unq 13 iso 0 dist 7.45383 6.55597 4.98822 5.77929 6.25843 9.16515 12.7009 9.34396 13.2447 8.50222 numMergedOcc 0
40 mol 25 unq 14 iso 0 dist 7.45383 6.55597 4.98822 5.77929 6.25843 9.16515 12.8117 10.8498 14.9982 7.55264 numMergedOcc 0
41 mol 25 unq 15 iso 0 dist 7.45383 9.71956 10.3547 5.77929 6.25843 11.5214 5.04899 7.33728 12.2542 8.87757 numMergedOcc 0
42 mol 25 unq 16 iso 0 dist 7.45383 9.71956 10.3547 5.77929 6.25843 11.5214 12.7009 9.34396 11.3512 8.50222 numMergedOcc 0
43 mol 25 unq 17 iso 0 dist 7.45383 9.71956 10.3547 5.77929 6.25843 11.5214 12.8117 10.8498 14.0853 7.55264 numMergedOcc 0
44 mol 25 unq 18 iso 0 dist 7.45383 7.07751 7.91914 5.77929 6.25843 9.82987 5.04899 7.33728 8.79309 8.87757 numMergedOcc 0
45 mol 25 unq 19 iso 0 dist 7.45383 7.07751 7.91914 5.77929 6.25843 9.82987 12.7009 9.34396 11.8139 8.50222 numMergedOcc 0
46 mol 25 unq 20 iso 0 dist 7.45383 7.07751 7.91914 5.77929 6.25843 9.82987 12.8117 10.8498 14.1251 7.55264 numMergedOcc 0
47 mol 25 unq 21 iso 0 dist 7.45383 8.23761 11.7069 5.77929 6.25843 13.3492 5.04899 7.33728 8.17061 8.87757 numMergedOcc 0
48 mol 25 unq 22 iso 0 dist 7.45383 8.23761 11.7069 5.77929 6.25843 13.3492 12.7009 9.34396 17.5134 8.50222 numMergedOcc 0
49 mol 25 unq 23 iso 0 dist 7.45383 8.23761 11.7069 5.77929 6.25843 13.3492 12.8117 10.8498 19.2117 7.55264 numMergedOcc 0
50 mol 25 unq 24 iso 0 dist 7.45383 9.49421 9.62058 5.77929 6.25843 6.53269 5.04899 7.33728 13.6145 8.87757 numMergedOcc 0
51 mol 25 unq 25 iso 0 dist 7.45383 9.49421 9.62058 5.77929 6.25843 6.53269 12.7009 9.34396 5.18617 8.50222 numMergedOcc 0
52 mol 25 unq 26 iso 0 dist 7.45383 9.49421 9.62058 5.77929 6.25843 6.53269 12.8117 10.8498 5.68041 7.55264 numMergedOcc 0
53 mol 25 unq 27 iso 0 dist 9.01548 7.52933 15.1255 5.77929 8.88938 12.7995 5.04899 13.9331 5.03027 8.87757 numMergedOcc 0
54 mol 25 unq 28 iso 0 dist 9.01548 7.52933 15.1255 5.77929 8.88938 12.7995 12.7009 10.5328 18.6183 8.50222 numMergedOcc 0
55 mol 25 unq 29 iso 0 dist 9.01548 7.52933 15.1255 5.77929 8.88938 12.7995 12.8117 10.4337 19.7151 7.55264 numMergedOcc 0
56 mol 25 unq 30 iso 0 dist 9.01548 6.55597 13.4321 5.77929 8.88938 9.16515 5.04899 13.9331 4.69295 8.87757 numMergedOcc 0
57 mol 25 unq 31 iso 0 dist 9.01548 6.55597 13.4321 5.77929 8.88938 9.16515 12.7009 10.5328 13.2447 8.50222 numMergedOcc 0
58 mol 25 unq 32 iso 0 dist 9.01548 6.55597 13.4321 5.77929 8.88938 9.16515 12.8117 10.4337 14.9982 7.55264 numMergedOcc 0
59 mol 25 unq 33 iso 0 dist 9.01548 9.71956 8.84447 5.77929 8.88938 11.5214 5.04899 13.9331 12.2542 8.87757 numMergedOcc 0
60 mol 25 unq 34 iso 0 dist 9.01548 9.71956 8.84447 5.77929 8.88938 11.5214 12.7009 10.5328 11.3512 8.50222 numMergedOcc 0
61 mol 25 unq 35 iso 0 dist 9.01548 9.71956 8.84447 5.77929 8.88938 11.5214 12.8117 10.4337 14.0853 7.55264 numMergedOcc 0
62 mol 25 unq 36 iso 0 dist 9.01548 7.07751 9.66912 5.77929 8.88938 9.82987 5.04899 13.9331 8.79309 8.87757 numMergedOcc 0
63 mol 25 unq 37 iso 0 dist 9.01548 7.07751 9.66912 5.77929 8.88938 9.82987 12.7009 10.5328 11.8139 8.50222 numMergedOcc 0
64 mol 25 unq 38 iso 0 dist 9.01548 7.07751 9.66912 5.77929 8.88938 9.82987 12.8117 10.4337 14.1251 7.55264 numMergedOcc 0
65 mol 25 unq 39 iso 0 dist 9.01548 8.23761 13.1117 5.77929 8.88938 13.3492 5.04899 13.9331 8.17061 8.87757 numMergedOcc 0
66 mol 25 unq 40 iso 0 dist 9.01548 8.23761 13.1117 5.77929 8.88938 13.3492 12.7009 10.5328 17.5134 8.50222 numMergedOcc 0
67 mol 25 unq 41 iso 0 dist 9.01548 8.23761 13.1117 5.77929 8.88938 13.3492 12.8117 10.4337 19.2117 7.55264 numMergedOcc 0
68 mol 25 unq 42 iso 0 dist 9.01548 9.49421 5.38592 5.77929 8.88938 6.53269 5.04899 13.9331 13.6145 8.87757 numMergedOcc 0
69 mol 25 unq 43 iso 0 dist 9.01548 9.49421 5.38592 5.77929 8.88938 6.53269 12.7009 10.5328 5.18617 8.50222 numMergedOcc 0
70 mol 25 unq 44 iso 0 dist 9.01548 9.49421 5.38592 5.77929 8.88938 6.53269 12.8117 10.4337 5.68041 7.55264 numMergedOcc 0
71 mol 98 unq 0 iso 0 dist 6.7117 5.10496 3.94967 4.4057 6.88901 4.62494 5.08437 7.06961 3.9764 6.65501 numMergedOcc 0
72 mol 98 unq 1 iso 0 dist 4.47349 7.54889 3.92737 9.67482 6.88901 8.46823 6.10456 7.06961 10.4782 6.65501 numMergedOcc 0
73 mol 98 unq 2 iso 0 dist 4.47349 5.2571 3.94967 9.67482 6.88901 4.62494 6.10456 7.06961 3.9764 6.65501 numMergedOcc 0
74 mol 98 unq 3 iso 0 dist 5.65185 7.78931 3.92737 12.0974 6.88901 8.46823 10.1136 7.06961 10.4782 6.65501 numMergedOcc 0
75 mol 98 unq 4 iso 0 dist 5.65185 8.7497 3.94967 12.0974 6.88901 4.62494 10.1136 7.06961 3.9764 6.65501 numMergedOcc 0
76 mol 100 unq 0 iso 0 dist 7.80975 9.90751 15.0328 5.42531 9.5057 10.3057 10.1489 10.6848 9.81953 7.01812 numMergedOcc 0
77 mol 100 unq 1 iso 0 dist 7.80975 9.90751 15.0328 5.42531 9.5057 10.3057 13.2001 15.3454 12.0341 8.30845 numMergedOcc 0
78 mol 100 unq 2 iso 0 dist 7.80975 9.21662 12.48 5.42531 9.5057 6.59691 10.1489 10.6848 4.03277 7.01812 numMergedOcc 0
79 mol 100 unq 3 iso 0 dist 7.80975 9.21662 12.48 5.42531 9.5057 6.59691 13.2001 15.3454 6.23008 8.30845 numMergedOcc 0
80 mol 129 unq 0 iso 0 dist 9.36851 5.58833 9.30433 4.55551 9.73158 9.8591 5.83384 10.7293 9.00231 6.28565 numMergedOcc 0
81 mol 129 unq 1 iso 0 dist 4.97175 5.58833 4.28744 4.55551 7.59327 9.8591 5.83384 7.29399 9.00231 6.28565 numMergedOcc 0
82 mol 134 unq 0 iso 0 dist 6.23142 9.33094 6.93712 9.87376 6.40575 10.1824 9.93925 4.60632 10.6898 5.83771 numMergedOcc 0
83 mol 134 unq 1 iso 0 dist 6.23142 9.33094 6.93712 9.87376 6.40575 10.1824 6.49416 5.71679 12.3479 7.80532 numMergedOcc 0
84 mol 134 unq 2 iso 0 dist 9.94764 9.1998 11.5269 14.9876 6.40575 13.3808 14.423 4.60632 15.5729 5.83771 numMergedOcc 0
85 mol 134 unq 3 iso 0 dist 9.94764 9.1998 11.5269 14.9876 6.40575 13.3808 12.5075 5.71679 15.9138 7.80532 numMergedOcc 0
86 mol 134 unq 4 iso 0 dist 9.94764 8.69531 6.93712 14.9876 6.40575 10.1824 14.423 4.60632 10.6898 5.83771 numMergedOcc 0
87 mol 134 unq 5 iso 0 dist 9.94764 8.69531 6.93712 14.9876 6.40575 10.1824 12.5075 5.71679 12.3479 7.80532 numMergedOcc 0
88 mol 181 unq 0 iso 0 dist 6.2479 9.76212 6.39406 4.43096 7.32087 7.35884 8.03334 7.81713 6.50233 6.46704 numMergedOcc 0
89 mol 181 unq 1 iso 0 dist 6.2479 9.76212 6.39406 8.04639 8.86197 11.6588 8.03334 7.81713 6.50233 6.59025 numMergedOcc 0
90 mol 181 unq 2 iso 0 dist 6.22122 8.59874 6.39406 6.06566 7.32087 7.35884 10.9639 7.81713 6.50233 6.46704 numMergedOcc 0
91 mol 181 unq 3 iso 0 dist 6.22122 8.59874 6.39406 13.0409 8.86197 11.6588 10.9639 7.81713 6.50233 6.59025 numMergedOcc 0
92 mol 232 unq 0 iso 0 dist 9.05071 6.71524 11.2243 4.9377 9.8664 9.9183 10.5803 12.3508 9.74344 8.50102 numMergedOcc 0
93 mol 232 unq 1 iso 0 dist 9.05071 6.71524 11.2243 4.9377 9.8664 9.9183 8.27212 8.80479 5.10213 9.40808 numMergedOcc 0
94 mol 273 unq 0 iso 0 dist 8.49177 9.59325 3.78984 4.60101 7.16346 6.35532 13.3579 12.0136 8.56043 8.83865 numMergedOcc 0
95 mol 273 unq 1 iso 0 dist 8.49177 9.59325 3.78984 4.60101 7.16346 6.35532 13.4294 12.1851 8.81454 9.18157 numMergedOcc 0
