0 mol 15 unq 0 iso 0 dist 6.42748 11.7498 7.48342 10.1154 6.03257 4.29582 11.3543 9.75966 9.88835 5.89412 8.85174 5.20798 9.84471 6.23015 6.91314 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 7.48342 11.7498 6.42748 4.29582 6.03257 10.1154 9.88835 9.75966 11.3543 5.89412 9.84471 5.20798 8.85174 6.23015 6.91314 numMergedOcc 0
2 mol 15 unq 1 iso 0 dist 6.42748 11.7498 7.48342 10.1154 6.03257 4.29582 10.6338 4.39605 8.38064 7.07399 8.85174 5.20798 9.84471 6.23015 5.49251 numMergedOcc 0
3 mol 15 unq 1 iso 1 dist 7.48342 11.7498 6.42748 4.29582 6.03257 10.1154 8.38064 4.39605 10.6338 7.07399 9.84471 5.20798 8.85174 6.23015 5.49251 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 6.41575 5.80928 6.41423 9.74255 9.95212 7.08342 8.4674 4.64838 4.51865 8.40416 13.0732 9.79414 12.2354 8.54034 10.4416 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 6.41423 5.80928 6.41575 7.08342 9.95212 9.74255 4.51865 4.64838 8.4674 8.40416 12.2354 9.79414 13.0732 8.54034 10.4416 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 6.41575 5.80928 6.41423 9.74255 9.95212 7.08342 4.54938 4.97119 6.864 7.75618 13.0732 9.79414 12.2354 8.54034 8.7083 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 6.41423 5.80928 6.41575 7.08342 9.95212 9.74255 6.864 4.97119 4.54938 7.75618 12.2354 9.79414 13.0732 8.54034 8.7083 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 9.41441 11.4989 6.73939 8.67951 4.2121 4.50066 6.86014 6.66749 11.0194 9.01567 12.5088 4.08755 5.68215 6.19899 8.91183 numMergedOcc 0
9 mol 24 unq 0 iso 1 dist 6.73939 11.4989 9.41441 4.50066 4.2121 8.67951 11.0194 6.66749 6.86014 9.01567 5.68215 4.08755 12.5088 6.19899 8.91183 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 9.41441 11.4989 6.73939 8.67951 4.2121 4.50066 6.86014 6.66749 11.0194 9.01567 15.4457 6.86136 10.4441 8.49709 13.0212 numMergedOcc 0
11 mol 24 unq 1 iso 1 dist 6.73939 11.4989 9.41441 4.50066 4.2121 8.67951 11.0194 6.66749 6.86014 9.01567 10.4441 6.86136 15.4457 8.49709 13.0212 numMergedOcc 0
12 mol 24 unq 2 iso 0 dist 9.41441 11.4989 6.73939 8.52463 6.72323 5.11617 15.5324 12.176 5.54419 8.4051 12.5088 4.08755 5.68215 6.61696 10.1698 numMergedOcc 0
13 mol 24 unq 2 iso 1 dist 6.73939 11.4989 9.41441 5.11617 6.72323 8.52463 5.54419 12.176 15.5324 8.4051 5.68215 4.08755 12.5088 6.61696 10.1698 numMergedOcc 0
14 mol 24 unq 3 iso 0 dist 9.41441 11.4989 6.73939 8.52463 6.72323 5.11617 15.5324 12.176 5.54419 8.4051 7.95042 10.0453 10.9113 5.80953 13.6174 numMergedOcc 0
15 mol 24 unq 3 iso 1 dist 6.73939 11.4989 9.41441 5.11617 6.72323 8.52463 5.54419 12.176 15.5324 8.4051 10.9113 10.0453 7.95042 5.80953 13.6174 numMergedOcc 0
16 mol 24 unq 4 iso 0 dist 9.41441 11.4989 6.73939 8.52463 6.72323 5.11617 6.86014 6.66749 11.0194 7.29868 12.5088 4.08755 5.68215 6.61696 8.91183 numMergedOcc 0
17 mol 24 unq 4 iso 1 dist 6.73939 11.4989 9.41441 5.11617 6.72323 8.52463 11.0194 6.66749 6.86014 7.29868 5.68215 4.08755 12.5088 6.61696 8.91183 numMergedOcc 0
18 mol 24 unq 5 iso 0 dist 9.41441 11.4989 6.73939 8.52463 6.72323 5.11617 6.86014 6.66749 11.0194 7.29868 7.95042 10.0453 10.9113 5.80953 5.69214 numMergedOcc 0
19 mol 24 unq 5 iso 1 dist 6.73939 11.4989 9.41441 5.11617 6.72323 8.52463 11.0194 6.66749 6.86014 7.29868 10.9113 10.0453 7.95042 5.80953 5.69214 numMergedOcc 0
20 mol 24 unq 6 iso 0 dist 9.41441 11.4989 6.73939 8.52463 6.72323 5.11617 8.86116 14.012 13.2433 8.60554 12.5088 4.08755 5.68215 6.61696 14.8647 numMergedOcc 0
21 mol 24 unq 6 iso 1 dist 6.73939 11.4989 9.41441 5.11617 6.72323 8.52463 13.2433 14.012 8.86116 8.60554 5.68215 4.08755 12.5088 6.61696 14.8647 numMergedOcc 0
22 mol 24 unq 7 iso 0 dist 9.41441 11.4989 6.73939 8.52463 6.72323 5.11617 8.86116 14.012 13.2433 8.60554 7.95042 10.0453 10.9113 5.80953 5.11636 numMergedOcc 0
23 mol 24 unq 7 iso 1 dist 6.73939 11.4989 9.41441 5.11617 6.72323 8.52463 13.2433 14.012 8.86116 8.60554 10.9113 10.0453 7.95042 5.80953 5.11636 numMergedOcc 0
24 mol 24 unq 8 iso 0 dist 8.4051 15.5315 7.29868 12.176 6.72323 6.66749 15.5324 8.52463 6.86014 9.41441 20.8425 14.6305 10.2862 9.85784 9.88364 numMergedOcc 0
25 mol 24 unq 8 iso 1 dist 7.29868 15.5315 8.4051 6.66749 6.72323 12.176 6.86014 8.52463 15.5324 9.41441 10.2862 14.6305 20.8425 9.85784 9.88364 numMergedOcc 0
26 mol 24 unq 9 iso 0 dist 8.4051 15.5315 7.29868 12.176 6.72323 6.66749 15.5324 8.52463 6.86014 9.41441 19.3627 14.3224 11.825 9.87996 9.78753 numMergedOcc 0
27 mol 24 unq 9 iso 1 dist 7.29868 15.5315 8.4051 6.66749 6.72323 12.176 6.86014 8.52463 15.5324 9.41441 11.825 14.3224 19.3627 9.87996 9.78753 numMergedOcc 0
28 mol 24 unq 10 iso 0 dist 8.4051 15.5315 7.29868 12.176 6.72323 6.66749 5.54419 5.11617 11.0194 6.73939 20.8425 14.6305 10.2862 9.85784 15.4313 numMergedOcc 0
29 mol 24 unq 10 iso 1 dist 7.29868 15.5315 8.4051 6.66749 6.72323 12.176 11.0194 5.11617 5.54419 6.73939 10.2862 14.6305 20.8425 9.85784 15.4313 numMergedOcc 0
30 mol 24 unq 11 iso 0 dist 8.4051 15.5315 7.29868 12.176 6.72323 6.66749 5.54419 5.11617 11.0194 6.73939 19.3627 14.3224 11.825 9.87996 14.1829 numMergedOcc 0
31 mol 24 unq 11 iso 1 dist 7.29868 15.5315 8.4051 6.66749 6.72323 12.176 11.0194 5.11617 5.54419 6.73939 11.825 14.3224 19.3627 9.87996 14.1829 numMergedOcc 0
32 mol 24 unq 12 iso 0 dist 8.4051 14.6259 8.60554 12.176 6.72323 14.012 15.5324 8.52463 8.86116 9.41441 20.8425 14.6305 18.188 9.85784 9.88364 numMergedOcc 0
33 mol 24 unq 12 iso 1 dist 8.60554 14.6259 8.4051 14.012 6.72323 12.176 8.86116 8.52463 15.5324 9.41441 18.188 14.6305 20.8425 9.85784 9.88364 numMergedOcc 0
34 mol 24 unq 13 iso 0 dist 8.4051 14.6259 8.60554 12.176 6.72323 14.012 15.5324 8.52463 8.86116 9.41441 19.3627 14.3224 18.4146 9.87996 9.78753 numMergedOcc 0
35 mol 24 unq 13 iso 1 dist 8.60554 14.6259 8.4051 14.012 6.72323 12.176 8.86116 8.52463 15.5324 9.41441 18.4146 14.3224 19.3627 9.87996 9.78753 numMergedOcc 0
36 mol 24 unq 14 iso 0 dist 8.4051 14.6259 8.60554 12.176 6.72323 14.012 5.54419 5.11617 13.2433 6.73939 20.8425 14.6305 18.188 9.85784 15.4313 numMergedOcc 0
37 mol 24 unq 14 iso 1 dist 8.60554 14.6259 8.4051 14.012 6.72323 12.176 13.2433 5.11617 5.54419 6.73939 18.188 14.6305 20.8425 9.85784 15.4313 numMergedOcc 0
38 mol 24 unq 15 iso 0 dist 8.4051 14.6259 8.60554 12.176 6.72323 14.012 5.54419 5.11617 13.2433 6.73939 19.3627 14.3224 18.4146 9.87996 14.1829 numMergedOcc 0
39 mol 24 unq 15 iso 1 dist 8.60554 14.6259 8.4051 14.012 6.72323 12.176 13.2433 5.11617 5.54419 6.73939 18.4146 14.3224 19.3627 9.87996 14.1829 numMergedOcc 0
40 mol 24 unq 12 iso 0 dist 7.29868 10.0952 8.60554 6.66749 6.72323 14.012 6.86014 8.52463 8.86116 9.41441 10.2862 14.6305 18.188 9.85784 9.88364 numMergedOcc 0
41 mol 24 unq 12 iso 1 dist 8.60554 10.0952 7.29868 14.012 6.72323 6.66749 8.86116 8.52463 6.86014 9.41441 18.188 14.6305 10.2862 9.85784 9.88364 numMergedOcc 0
42 mol 24 unq 13 iso 0 dist 7.29868 10.0952 8.60554 6.66749 6.72323 14.012 6.86014 8.52463 8.86116 9.41441 11.825 14.3224 18.4146 9.87996 9.78753 numMergedOcc 0
43 mol 24 unq 13 iso 1 dist 8.60554 10.0952 7.29868 14.012 6.72323 6.66749 8.86116 8.52463 6.86014 9.41441 18.4146 14.3224 11.825 9.87996 9.78753 numMergedOcc 0
44 mol 24 unq 14 iso 0 dist 7.29868 10.0952 8.60554 6.66749 6.72323 14.012 11.0194 5.11617 13.2433 6.73939 10.2862 14.6305 18.188 9.85784 15.4313 numMergedOcc 0
45 mol 24 unq 14 iso 1 dist 8.60554 10.0952 7.29868 14.012 6.72323 6.66749 13.2433 5.11617 11.0194 6.73939 18.188 14.6305 10.2862 9.85784 15.4313 numMergedOcc 0
46 mol 24 unq 15 iso 0 dist 7.29868 10.0952 8.60554 6.66749 6.72323 14.012 11.0194 5.11617 13.2433 6.73939 11.825 14.3224 18.4146 9.87996 14.1829 numMergedOcc 0
47 mol 24 unq 15 iso 1 dist 8.60554 10.0952 7.29868 14.012 6.72323 6.66749 13.2433 5.11617 11.0194 6.73939 18.4146 14.3224 11.825 9.87996 14.1829 numMergedOcc 0
48 mol 25 unq 0 iso 0 dist 8.87757 15.5644 8.50222 7.33728 6.25843 9.34396 11.9561 6.08585 7.57578 6.16347 7.05196 3.904 10.9703 5.20109 5.63212 numMergedOcc 0
49 mol 25 unq 0 iso 1 dist 8.50222 15.5644 8.87757 9.34396 6.25843 7.33728 7.57578 6.08585 11.9561 6.16347 10.9703 3.904 7.05196 5.20109 5.63212 numMergedOcc 0
50 mol 25 unq 1 iso 0 dist 8.87757 15.5644 8.50222 7.33728 6.25843 9.34396 5.04899 5.77929 12.7009 7.45383 7.05196 3.904 10.9703 5.20109 6.47509 numMergedOcc 0
51 mol 25 unq 1 iso 1 dist 8.50222 15.5644 8.87757 9.34396 6.25843 7.33728 12.7009 5.77929 5.04899 7.45383 10.9703 3.904 7.05196 5.20109 6.47509 numMergedOcc 0
52 mol 25 unq 2 iso 0 dist 8.87757 16.1048 7.55264 7.33728 6.25843 10.8498 11.9561 6.08585 7.17969 6.16347 7.05196 3.904 10.3338 5.20109 5.63212 numMergedOcc 0
53 mol 25 unq 2 iso 1 dist 7.55264 16.1048 8.87757 10.8498 6.25843 7.33728 7.17969 6.08585 11.9561 6.16347 10.3338 3.904 7.05196 5.20109 5.63212 numMergedOcc 0
54 mol 25 unq 3 iso 0 dist 8.87757 16.1048 7.55264 7.33728 6.25843 10.8498 5.04899 5.77929 12.8117 7.45383 7.05196 3.904 10.3338 5.20109 6.47509 numMergedOcc 0
55 mol 25 unq 3 iso 1 dist 7.55264 16.1048 8.87757 10.8498 6.25843 7.33728 12.8117 5.77929 5.04899 7.45383 10.3338 3.904 7.05196 5.20109 6.47509 numMergedOcc 0
56 mol 25 unq 4 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 11.9561 7.33728 5.04899 8.87757 11.037 4.98822 6.55597 9.16515 4.69295 numMergedOcc 0
57 mol 25 unq 4 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 5.04899 7.33728 11.9561 8.87757 6.55597 4.98822 11.037 9.16515 4.69295 numMergedOcc 0
58 mol 25 unq 5 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 11.9561 7.33728 5.04899 8.87757 13.0315 7.91914 7.07751 9.82987 8.79309 numMergedOcc 0
59 mol 25 unq 5 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 5.04899 7.33728 11.9561 8.87757 7.07751 7.91914 13.0315 9.82987 8.79309 numMergedOcc 0
60 mol 25 unq 6 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 11.9561 7.33728 5.04899 8.87757 11.971 10.9145 11.008 9.40732 14.9206 numMergedOcc 0
61 mol 25 unq 6 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 5.04899 7.33728 11.9561 8.87757 11.008 10.9145 11.971 9.40732 14.9206 numMergedOcc 0
62 mol 25 unq 7 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 11.9561 7.33728 5.04899 8.87757 9.48085 9.62058 9.49421 6.53269 13.6145 numMergedOcc 0
63 mol 25 unq 7 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 5.04899 7.33728 11.9561 8.87757 9.49421 9.62058 9.48085 6.53269 13.6145 numMergedOcc 0
64 mol 25 unq 8 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 7.57578 9.34396 12.7009 8.50222 11.037 4.98822 6.55597 9.16515 13.2447 numMergedOcc 0
65 mol 25 unq 8 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 12.7009 9.34396 7.57578 8.50222 6.55597 4.98822 11.037 9.16515 13.2447 numMergedOcc 0
66 mol 25 unq 9 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 7.57578 9.34396 12.7009 8.50222 13.0315 7.91914 7.07751 9.82987 11.8139 numMergedOcc 0
67 mol 25 unq 9 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 12.7009 9.34396 7.57578 8.50222 7.07751 7.91914 13.0315 9.82987 11.8139 numMergedOcc 0
68 mol 25 unq 10 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 7.57578 9.34396 12.7009 8.50222 11.971 10.9145 11.008 9.40732 6.28979 numMergedOcc 0
69 mol 25 unq 10 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 12.7009 9.34396 7.57578 8.50222 11.008 10.9145 11.971 9.40732 6.28979 numMergedOcc 0
70 mol 25 unq 11 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 7.57578 9.34396 12.7009 8.50222 9.48085 9.62058 9.49421 6.53269 5.18617 numMergedOcc 0
71 mol 25 unq 11 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 12.7009 9.34396 7.57578 8.50222 9.49421 9.62058 9.48085 6.53269 5.18617 numMergedOcc 0
72 mol 25 unq 12 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 7.17969 10.8498 12.8117 7.55264 11.037 4.98822 6.55597 9.16515 14.9982 numMergedOcc 0
73 mol 25 unq 12 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 12.8117 10.8498 7.17969 7.55264 6.55597 4.98822 11.037 9.16515 14.9982 numMergedOcc 0
74 mol 25 unq 13 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 7.17969 10.8498 12.8117 7.55264 13.0315 7.91914 7.07751 9.82987 14.1251 numMergedOcc 0
75 mol 25 unq 13 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 12.8117 10.8498 7.17969 7.55264 7.07751 7.91914 13.0315 9.82987 14.1251 numMergedOcc 0
76 mol 25 unq 14 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 7.17969 10.8498 12.8117 7.55264 11.971 10.9145 11.008 9.40732 8.41421 numMergedOcc 0
77 mol 25 unq 14 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 12.8117 10.8498 7.17969 7.55264 11.008 10.9145 11.971 9.40732 8.41421 numMergedOcc 0
78 mol 25 unq 15 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 7.17969 10.8498 12.8117 7.55264 9.48085 9.62058 9.49421 6.53269 5.68041 numMergedOcc 0
79 mol 25 unq 15 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 12.8117 10.8498 7.17969 7.55264 9.49421 9.62058 9.48085 6.53269 5.68041 numMergedOcc 0
80 mol 25 unq 2 iso 0 dist 8.50222 4.33106 7.55264 9.34396 6.25843 10.8498 7.57578 6.08585 7.17969 6.16347 10.9703 3.904 10.3338 5.20109 5.63212 numMergedOcc 0
81 mol 25 unq 2 iso 1 dist 7.55264 4.33106 8.50222 10.8498 6.25843 9.34396 7.17969 6.08585 7.57578 6.16347 10.3338 3.904 10.9703 5.20109 5.63212 numMergedOcc 0
82 mol 25 unq 3 iso 0 dist 8.50222 4.33106 7.55264 9.34396 6.25843 10.8498 12.7009 5.77929 12.8117 7.45383 10.9703 3.904 10.3338 5.20109 6.47509 numMergedOcc 0
83 mol 25 unq 3 iso 1 dist 7.55264 4.33106 8.50222 10.8498 6.25843 9.34396 12.8117 5.77929 12.7009 7.45383 10.3338 3.904 10.9703 5.20109 6.47509 numMergedOcc 0
84 mol 98 unq 0 iso 0 dist 6.7117 8.40073 4.47349 4.4057 6.88901 9.67482 5.08437 7.06961 6.10456 6.65501 9.81956 3.92737 7.54889 8.46823 10.4782 numMergedOcc 0
85 mol 98 unq 0 iso 1 dist 4.47349 8.40073 6.7117 9.67482 6.88901 4.4057 6.10456 7.06961 5.08437 6.65501 7.54889 3.92737 9.81956 8.46823 10.4782 numMergedOcc 0
86 mol 98 unq 1 iso 0 dist 6.7117 8.40073 4.47349 4.4057 6.88901 9.67482 5.08437 7.06961 6.10456 6.65501 5.10496 3.94967 5.2571 4.62494 3.9764 numMergedOcc 0
87 mol 98 unq 1 iso 1 dist 4.47349 8.40073 6.7117 9.67482 6.88901 4.4057 6.10456 7.06961 5.08437 6.65501 5.2571 3.94967 5.10496 4.62494 3.9764 numMergedOcc 0
88 mol 98 unq 2 iso 0 dist 6.7117 10.2427 5.65185 4.4057 6.88901 12.0974 5.08437 7.06961 10.1136 6.65501 9.81956 3.92737 7.78931 8.46823 10.4782 numMergedOcc 0
89 mol 98 unq 2 iso 1 dist 5.65185 10.2427 6.7117 12.0974 6.88901 4.4057 10.1136 7.06961 5.08437 6.65501 7.78931 3.92737 9.81956 8.46823 10.4782 numMergedOcc 0
90 mol 98 unq 3 iso 0 dist 6.7117 10.2427 5.65185 4.4057 6.88901 12.0974 5.08437 7.06961 10.1136 6.65501 5.10496 3.94967 8.7497 4.62494 3.9764 numMergedOcc 0
91 mol 98 unq 3 iso 1 dist 5.65185 10.2427 6.7117 12.0974 6.88901 4.4057 10.1136 7.06961 5.08437 6.65501 8.7497 3.94967 5.10496 4.62494 3.9764 numMergedOcc 0
92 mol 98 unq 2 iso 0 dist 4.47349 5.02887 5.65185 9.67482 6.88901 12.0974 6.10456 7.06961 10.1136 6.65501 7.54889 3.92737 7.78931 8.46823 10.4782 numMergedOcc 0
93 mol 98 unq 2 iso 1 dist 5.65185 5.02887 4.47349 12.0974 6.88901 9.67482 10.1136 7.06961 6.10456 6.65501 7.78931 3.92737 7.54889 8.46823 10.4782 numMergedOcc 0
94 mol 98 unq 3 iso 0 dist 4.47349 5.02887 5.65185 9.67482 6.88901 12.0974 6.10456 7.06961 10.1136 6.65501 5.2571 3.94967 8.7497 4.62494 3.9764 numMergedOcc 0
95 mol 98 unq 3 iso 1 dist 5.65185 5.02887 4.47349 12.0974 6.88901 9.67482 10.1136 7.06961 6.10456 6.65501 8.7497 3.94967 5.2571 4.62494 3.9764 numMergedOcc 0
96 mol 100 unq 0 iso 0 dist 7.80975 10.8586 7.10378 5.42531 9.5057 8.4128 10.1489 10.6848 7.17106 7.01812 9.21662 12.48 10.5432 6.59691 4.03277 numMergedOcc 0
97 mol 100 unq 0 iso 1 dist 7.10378 10.8586 7.80975 8.4128 9.5057 5.42531 7.17106 10.6848 10.1489 7.01812 10.5432 12.48 9.21662 6.59691 4.03277 numMergedOcc 0
98 mol 100 unq 1 iso 0 dist 7.80975 10.8586 7.10378 5.42531 9.5057 8.4128 13.2001 15.3454 10.5134 8.30845 9.21662 12.48 10.5432 6.59691 6.23008 numMergedOcc 0
99 mol 100 unq 1 iso 1 dist 7.10378 10.8586 7.80975 8.4128 9.5057 5.42531 10.5134 15.3454 13.2001 8.30845 10.5432 12.48 9.21662 6.59691 6.23008 numMergedOcc 0
100 mol 134 unq 0 iso 0 dist 5.83771 5.79898 7.80532 4.60632 6.40575 5.71679 9.89303 7.41674 6.54501 7.69991 13.0242 15.0575 11.988 9.0176 12.847 numMergedOcc 0
101 mol 134 unq 0 iso 1 dist 7.80532 5.79898 5.83771 5.71679 6.40575 4.60632 6.54501 7.41674 9.89303 7.69991 11.988 15.0575 13.0242 9.0176 12.847 numMergedOcc 0
102 mol 134 unq 1 iso 0 dist 5.83771 5.79898 7.80532 4.60632 6.40575 5.71679 9.93925 9.87376 6.49416 6.23142 13.0242 15.0575 11.988 9.0176 8.06642 numMergedOcc 0
103 mol 134 unq 1 iso 1 dist 7.80532 5.79898 5.83771 5.71679 6.40575 4.60632 6.49416 9.87376 9.93925 6.23142 11.988 15.0575 13.0242 9.0176 8.06642 numMergedOcc 0
104 mol 134 unq 2 iso 0 dist 5.83771 5.79898 7.80532 4.60632 6.40575 5.71679 14.423 14.9876 12.5075 9.94764 13.0242 15.0575 11.988 9.0176 4.00092 numMergedOcc 0
105 mol 134 unq 2 iso 1 dist 7.80532 5.79898 5.83771 5.71679 6.40575 4.60632 12.5075 14.9876 14.423 9.94764 11.988 15.0575 13.0242 9.0176 4.00092 numMergedOcc 0
106 mol 171 unq 0 iso 0 dist 6.64834 4.91149 5.93786 4.78075 5.25109 7.9651 13.05 11.5561 14.9792 9.61462 11.8105 11.4851 15.3457 7.47964 7.5383 numMergedOcc 0
107 mol 171 unq 0 iso 1 dist 5.93786 4.91149 6.64834 7.9651 5.25109 4.78075 14.9792 11.5561 13.05 9.61462 15.3457 11.4851 11.8105 7.47964 7.5383 numMergedOcc 0
108 mol 171 unq 1 iso 0 dist 6.64834 11.6409 8.24693 4.78075 5.25109 12.6853 13.05 11.5561 16.2078 9.61462 11.8105 11.4851 18.9149 7.47964 7.5383 numMergedOcc 0
109 mol 171 unq 1 iso 1 dist 8.24693 11.6409 6.64834 12.6853 5.25109 4.78075 16.2078 11.5561 13.05 9.61462 18.9149 11.4851 11.8105 7.47964 7.5383 numMergedOcc 0
110 mol 171 unq 2 iso 0 dist 6.64834 5.51687 7.36698 4.78075 5.25109 5.90026 13.05 11.5561 15.4802 9.61462 11.8105 11.4851 11.8153 7.47964 7.5383 numMergedOcc 0
111 mol 171 unq 2 iso 1 dist 7.36698 5.51687 6.64834 5.90026 5.25109 4.78075 15.4802 11.5561 13.05 9.61462 11.8153 11.4851 11.8105 7.47964 7.5383 numMergedOcc 0
112 mol 171 unq 1 iso 0 dist 5.93786 7.31409 8.24693 7.9651 5.25109 12.6853 14.9792 11.5561 16.2078 9.61462 15.3457 11.4851 18.9149 7.47964 7.5383 numMergedOcc 0
113 mol 171 unq 1 iso 1 dist 8.24693 7.31409 5.93786 12.6853 5.25109 7.9651 16.2078 11.5561 14.9792 9.61462 18.9149 11.4851 15.3457 7.47964 7.5383 numMergedOcc 0
114 mol 171 unq 2 iso 0 dist 5.93786 8.07119 7.36698 7.9651 5.25109 5.90026 14.9792 11.5561 15.4802 9.61462 15.3457 11.4851 11.8153 7.47964 7.5383 numMergedOcc 0
115 mol 171 unq 2 iso 1 dist 7.36698 8.07119 5.93786 5.90026 5.25109 7.9651 15.4802 11.5561 14.9792 9.61462 11.8153 11.4851 15.3457 7.47964 7.5383 numMergedOcc 0
116 mol 171 unq 2 iso 0 dist 8.24693 14.1033 7.36698 12.6853 5.25109 5.90026 16.2078 11.5561 15.4802 9.61462 18.9149 11.4851 11.8153 7.47964 7.5383 numMergedOcc 0
117 mol 171 unq 2 iso 1 dist 7.36698 14.1033 8.24693 5.90026 5.25109 12.6853 15.4802 11.5561 16.2078 9.61462 11.8153 11.4851 18.9149 7.47964 7.5383 numMergedOcc 0
118 mol 171 unq 3 iso 0 dist 8.1344 7.31409 6.71356 7.9651 8.21618 12.6853 14.9792 10.844 16.2078 9.61462 15.3457 12.9811 18.9149 7.47964 7.5383 numMergedOcc 0
119 mol 171 unq 3 iso 1 dist 6.71356 7.31409 8.1344 12.6853 8.21618 7.9651 16.2078 10.844 14.9792 9.61462 18.9149 12.9811 15.3457 7.47964 7.5383 numMergedOcc 0
120 mol 181 unq 0 iso 0 dist 6.2479 6.01247 6.22122 4.43096 7.32087 6.06566 8.03334 7.81713 10.9639 6.46704 10.0802 5.3698 10.0333 9.06571 6.28125 numMergedOcc 0
121 mol 181 unq 0 iso 1 dist 6.22122 6.01247 6.2479 6.06566 7.32087 4.43096 10.9639 7.81713 8.03334 6.46704 10.0333 5.3698 10.0802 9.06571 6.28125 numMergedOcc 0
122 mol 181 unq 1 iso 0 dist 6.2479 6.01247 6.22122 4.43096 7.32087 6.06566 8.03334 7.81713 10.9639 6.46704 9.76212 6.39406 8.59874 7.35884 6.50233 numMergedOcc 0
123 mol 181 unq 1 iso 1 dist 6.22122 6.01247 6.2479 6.06566 7.32087 4.43096 10.9639 7.81713 8.03334 6.46704 8.59874 6.39406 9.76212 7.35884 6.50233 numMergedOcc 0
124 mol 181 unq 2 iso 0 dist 6.2479 6.01247 6.22122 8.04639 8.86197 13.0409 8.03334 7.81713 10.9639 6.59025 10.0802 5.3698 10.0333 9.88897 6.28125 numMergedOcc 0
125 mol 181 unq 2 iso 1 dist 6.22122 6.01247 6.2479 13.0409 8.86197 8.04639 10.9639 7.81713 8.03334 6.59025 10.0333 5.3698 10.0802 9.88897 6.28125 numMergedOcc 0
126 mol 181 unq 3 iso 0 dist 6.2479 8.88798 7.99195 4.43096 7.32087 12.2164 8.03334 7.81713 10.7062 6.46704 10.0802 5.3698 10.9279 9.06571 6.28125 numMergedOcc 0
127 mol 181 unq 3 iso 1 dist 7.99195 8.88798 6.2479 12.2164 7.32087 4.43096 10.7062 7.81713 8.03334 6.46704 10.9279 5.3698 10.0802 9.06571 6.28125 numMergedOcc 0
128 mol 181 unq 4 iso 0 dist 6.2479 8.88798 7.99195 4.43096 7.32087 12.2164 8.03334 7.81713 10.7062 6.46704 9.76212 6.39406 13.2783 7.35884 6.50233 numMergedOcc 0
129 mol 181 unq 4 iso 1 dist 7.99195 8.88798 6.2479 12.2164 7.32087 4.43096 10.7062 7.81713 8.03334 6.46704 13.2783 6.39406 9.76212 7.35884 6.50233 numMergedOcc 0
130 mol 181 unq 5 iso 0 dist 6.2479 8.88798 7.99195 8.04639 8.86197 5.77299 8.03334 7.81713 10.7062 6.59025 10.0802 5.3698 10.9279 9.88897 6.28125 numMergedOcc 0
131 mol 181 unq 5 iso 1 dist 7.99195 8.88798 6.2479 5.77299 8.86197 8.04639 10.7062 7.81713 8.03334 6.59025 10.9279 5.3698 10.0802 9.88897 6.28125 numMergedOcc 0
132 mol 181 unq 3 iso 0 dist 6.22122 12.6324 7.99195 6.06566 7.32087 12.2164 10.9639 7.81713 10.7062 6.46704 10.0333 5.3698 10.9279 9.06571 6.28125 numMergedOcc 0
133 mol 181 unq 3 iso 1 dist 7.99195 12.6324 6.22122 12.2164 7.32087 6.06566 10.7062 7.81713 10.9639 6.46704 10.9279 5.3698 10.0333 9.06571 6.28125 numMergedOcc 0
134 mol 181 unq 4 iso 0 dist 6.22122 12.6324 7.99195 6.06566 7.32087 12.2164 10.9639 7.81713 10.7062 6.46704 8.59874 6.39406 13.2783 7.35884 6.50233 numMergedOcc 0
135 mol 181 unq 4 iso 1 dist 7.99195 12.6324 6.22122 12.2164 7.32087 6.06566 10.7062 7.81713 10.9639 6.46704 13.2783 6.39406 8.59874 7.35884 6.50233 numMergedOcc 0
136 mol 181 unq 5 iso 0 dist 6.22122 12.6324 7.99195 13.0409 8.86197 5.77299 10.9639 7.81713 10.7062 6.59025 10.0333 5.3698 10.9279 9.88897 6.28125 numMergedOcc 0
137 mol 181 unq 5 iso 1 dist 7.99195 12.6324 6.22122 5.77299 8.86197 13.0409 10.7062 7.81713 10.9639 6.59025 10.9279 5.3698 10.0333 9.88897 6.28125 numMergedOcc 0
138 mol 232 unq 0 iso 0 dist 8.50102 6.56633 9.40808 12.3508 9.8664 8.80479 10.5803 4.9377 8.27212 9.05071 11.4909 4.68548 10.3021 6.59036 5.42461 numMergedOcc 0
139 mol 232 unq 0 iso 1 dist 9.40808 6.56633 8.50102 8.80479 9.8664 12.3508 8.27212 4.9377 10.5803 9.05071 10.3021 4.68548 11.4909 6.59036 5.42461 numMergedOcc 0
