0 mol 15 unq 0 iso 0 dist 5.89412 11.0528 7.07399 9.75966 6.03257 4.39605 6.91314 6.23015 5.49251 5.20798 11.3543 10.1154 10.6338 6.42748 8.85174 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 7.07399 11.0528 5.89412 4.39605 6.03257 9.75966 5.49251 6.23015 6.91314 5.20798 10.6338 10.1154 11.3543 6.42748 8.85174 numMergedOcc 0
2 mol 15 unq 1 iso 0 dist 5.89412 11.0528 7.07399 9.75966 6.03257 4.39605 6.91314 6.23015 5.49251 5.20798 9.88835 4.29582 8.38064 7.48342 9.84471 numMergedOcc 0
3 mol 15 unq 1 iso 1 dist 7.07399 11.0528 5.89412 4.39605 6.03257 9.75966 5.49251 6.23015 6.91314 5.20798 8.38064 4.29582 9.88835 7.48342 9.84471 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 8.40416 7.67038 7.75618 4.64838 9.95212 4.97119 10.4416 8.54034 8.7083 9.79414 8.4674 9.74255 4.54938 6.41575 13.0732 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 7.75618 7.67038 8.40416 4.97119 9.95212 4.64838 8.7083 8.54034 10.4416 9.79414 4.54938 9.74255 8.4674 6.41575 13.0732 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 8.40416 7.67038 7.75618 4.64838 9.95212 4.97119 10.4416 8.54034 8.7083 9.79414 4.51865 7.08342 6.864 6.41423 12.2354 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 7.75618 7.67038 8.40416 4.97119 9.95212 4.64838 8.7083 8.54034 10.4416 9.79414 6.864 7.08342 4.51865 6.41423 12.2354 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 9.41441 11.4989 6.73939 4.32034 8.00171 11.9112 9.88364 9.85784 15.4313 5.70626 6.86014 6.66749 11.0194 7.33768 10.2862 numMergedOcc 0
9 mol 24 unq 0 iso 1 dist 6.73939 11.4989 9.41441 11.9112 8.00171 4.32034 15.4313 9.85784 9.88364 5.70626 11.0194 6.66749 6.86014 7.33768 10.2862 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 9.41441 11.4989 6.73939 4.32034 8.00171 11.9112 9.78753 9.87996 14.1829 5.62738 6.86014 6.66749 11.0194 7.33768 11.825 numMergedOcc 0
11 mol 24 unq 1 iso 1 dist 6.73939 11.4989 9.41441 11.9112 8.00171 4.32034 14.1829 9.87996 9.78753 5.62738 11.0194 6.66749 6.86014 7.33768 11.825 numMergedOcc 0
12 mol 24 unq 2 iso 0 dist 9.41441 11.4989 6.73939 8.67951 4.2121 4.50066 9.88364 9.85784 15.4313 11.076 6.86014 6.66749 11.0194 9.01567 10.2862 numMergedOcc 0
13 mol 24 unq 2 iso 1 dist 6.73939 11.4989 9.41441 4.50066 4.2121 8.67951 15.4313 9.85784 9.88364 11.076 11.0194 6.66749 6.86014 9.01567 10.2862 numMergedOcc 0
14 mol 24 unq 3 iso 0 dist 9.41441 11.4989 6.73939 8.67951 4.2121 4.50066 9.78753 9.87996 14.1829 9.68535 6.86014 6.66749 11.0194 9.01567 11.825 numMergedOcc 0
15 mol 24 unq 3 iso 1 dist 6.73939 11.4989 9.41441 4.50066 4.2121 8.67951 14.1829 9.87996 9.78753 9.68535 11.0194 6.66749 6.86014 9.01567 11.825 numMergedOcc 0
16 mol 24 unq 4 iso 0 dist 9.41441 11.4989 6.73939 8.52463 6.72323 5.11617 9.88364 9.85784 15.4313 14.6305 15.5324 12.176 5.54419 8.4051 20.8425 numMergedOcc 0
17 mol 24 unq 4 iso 1 dist 6.73939 11.4989 9.41441 5.11617 6.72323 8.52463 15.4313 9.85784 9.88364 14.6305 5.54419 12.176 15.5324 8.4051 20.8425 numMergedOcc 0
18 mol 24 unq 5 iso 0 dist 9.41441 11.4989 6.73939 8.52463 6.72323 5.11617 9.88364 9.85784 15.4313 14.6305 6.86014 6.66749 11.0194 7.29868 10.2862 numMergedOcc 0
19 mol 24 unq 5 iso 1 dist 6.73939 11.4989 9.41441 5.11617 6.72323 8.52463 15.4313 9.85784 9.88364 14.6305 11.0194 6.66749 6.86014 7.29868 10.2862 numMergedOcc 0
20 mol 24 unq 6 iso 0 dist 9.41441 11.4989 6.73939 8.52463 6.72323 5.11617 9.88364 9.85784 15.4313 14.6305 8.86116 14.012 13.2433 8.60554 18.188 numMergedOcc 0
21 mol 24 unq 6 iso 1 dist 6.73939 11.4989 9.41441 5.11617 6.72323 8.52463 15.4313 9.85784 9.88364 14.6305 13.2433 14.012 8.86116 8.60554 18.188 numMergedOcc 0
22 mol 24 unq 7 iso 0 dist 9.41441 11.4989 6.73939 8.52463 6.72323 5.11617 9.78753 9.87996 14.1829 14.3224 15.5324 12.176 5.54419 8.4051 19.3627 numMergedOcc 0
23 mol 24 unq 7 iso 1 dist 6.73939 11.4989 9.41441 5.11617 6.72323 8.52463 14.1829 9.87996 9.78753 14.3224 5.54419 12.176 15.5324 8.4051 19.3627 numMergedOcc 0
24 mol 24 unq 8 iso 0 dist 9.41441 11.4989 6.73939 8.52463 6.72323 5.11617 9.78753 9.87996 14.1829 14.3224 6.86014 6.66749 11.0194 7.29868 11.825 numMergedOcc 0
25 mol 24 unq 8 iso 1 dist 6.73939 11.4989 9.41441 5.11617 6.72323 8.52463 14.1829 9.87996 9.78753 14.3224 11.0194 6.66749 6.86014 7.29868 11.825 numMergedOcc 0
26 mol 24 unq 9 iso 0 dist 9.41441 11.4989 6.73939 8.52463 6.72323 5.11617 9.78753 9.87996 14.1829 14.3224 8.86116 14.012 13.2433 8.60554 18.4146 numMergedOcc 0
27 mol 24 unq 9 iso 1 dist 6.73939 11.4989 9.41441 5.11617 6.72323 8.52463 14.1829 9.87996 9.78753 14.3224 13.2433 14.012 8.86116 8.60554 18.4146 numMergedOcc 0
28 mol 24 unq 10 iso 0 dist 8.4051 15.5315 7.29868 12.176 6.72323 6.66749 10.1698 6.61696 8.91183 4.08755 15.5324 8.52463 6.86014 9.41441 12.5088 numMergedOcc 0
29 mol 24 unq 10 iso 1 dist 7.29868 15.5315 8.4051 6.66749 6.72323 12.176 8.91183 6.61696 10.1698 4.08755 6.86014 8.52463 15.5324 9.41441 12.5088 numMergedOcc 0
30 mol 24 unq 11 iso 0 dist 8.4051 15.5315 7.29868 12.176 6.72323 6.66749 10.1698 6.61696 8.91183 4.08755 5.54419 5.11617 11.0194 6.73939 5.68215 numMergedOcc 0
31 mol 24 unq 11 iso 1 dist 7.29868 15.5315 8.4051 6.66749 6.72323 12.176 8.91183 6.61696 10.1698 4.08755 11.0194 5.11617 5.54419 6.73939 5.68215 numMergedOcc 0
32 mol 24 unq 12 iso 0 dist 8.4051 15.5315 7.29868 12.176 6.72323 6.66749 13.6174 5.80953 5.69214 10.0453 15.5324 8.52463 6.86014 9.41441 7.95042 numMergedOcc 0
33 mol 24 unq 12 iso 1 dist 7.29868 15.5315 8.4051 6.66749 6.72323 12.176 5.69214 5.80953 13.6174 10.0453 6.86014 8.52463 15.5324 9.41441 7.95042 numMergedOcc 0
34 mol 24 unq 13 iso 0 dist 8.4051 15.5315 7.29868 12.176 6.72323 6.66749 13.6174 5.80953 5.69214 10.0453 5.54419 5.11617 11.0194 6.73939 10.9113 numMergedOcc 0
35 mol 24 unq 13 iso 1 dist 7.29868 15.5315 8.4051 6.66749 6.72323 12.176 5.69214 5.80953 13.6174 10.0453 11.0194 5.11617 5.54419 6.73939 10.9113 numMergedOcc 0
36 mol 24 unq 14 iso 0 dist 8.4051 14.6259 8.60554 12.176 6.72323 14.012 10.1698 6.61696 14.8647 4.08755 15.5324 8.52463 8.86116 9.41441 12.5088 numMergedOcc 0
37 mol 24 unq 14 iso 1 dist 8.60554 14.6259 8.4051 14.012 6.72323 12.176 14.8647 6.61696 10.1698 4.08755 8.86116 8.52463 15.5324 9.41441 12.5088 numMergedOcc 0
38 mol 24 unq 15 iso 0 dist 8.4051 14.6259 8.60554 12.176 6.72323 14.012 10.1698 6.61696 14.8647 4.08755 5.54419 5.11617 13.2433 6.73939 5.68215 numMergedOcc 0
39 mol 24 unq 15 iso 1 dist 8.60554 14.6259 8.4051 14.012 6.72323 12.176 14.8647 6.61696 10.1698 4.08755 13.2433 5.11617 5.54419 6.73939 5.68215 numMergedOcc 0
40 mol 24 unq 16 iso 0 dist 8.4051 14.6259 8.60554 12.176 6.72323 14.012 13.6174 5.80953 5.11636 10.0453 15.5324 8.52463 8.86116 9.41441 7.95042 numMergedOcc 0
41 mol 24 unq 16 iso 1 dist 8.60554 14.6259 8.4051 14.012 6.72323 12.176 5.11636 5.80953 13.6174 10.0453 8.86116 8.52463 15.5324 9.41441 7.95042 numMergedOcc 0
42 mol 24 unq 17 iso 0 dist 8.4051 14.6259 8.60554 12.176 6.72323 14.012 13.6174 5.80953 5.11636 10.0453 5.54419 5.11617 13.2433 6.73939 10.9113 numMergedOcc 0
43 mol 24 unq 17 iso 1 dist 8.60554 14.6259 8.4051 14.012 6.72323 12.176 5.11636 5.80953 13.6174 10.0453 13.2433 5.11617 5.54419 6.73939 10.9113 numMergedOcc 0
44 mol 24 unq 14 iso 0 dist 7.29868 10.0952 8.60554 6.66749 6.72323 14.012 8.91183 6.61696 14.8647 4.08755 6.86014 8.52463 8.86116 9.41441 12.5088 numMergedOcc 0
45 mol 24 unq 14 iso 1 dist 8.60554 10.0952 7.29868 14.012 6.72323 6.66749 14.8647 6.61696 8.91183 4.08755 8.86116 8.52463 6.86014 9.41441 12.5088 numMergedOcc 0
46 mol 24 unq 15 iso 0 dist 7.29868 10.0952 8.60554 6.66749 6.72323 14.012 8.91183 6.61696 14.8647 4.08755 11.0194 5.11617 13.2433 6.73939 5.68215 numMergedOcc 0
47 mol 24 unq 15 iso 1 dist 8.60554 10.0952 7.29868 14.012 6.72323 6.66749 14.8647 6.61696 8.91183 4.08755 13.2433 5.11617 11.0194 6.73939 5.68215 numMergedOcc 0
48 mol 24 unq 16 iso 0 dist 7.29868 10.0952 8.60554 6.66749 6.72323 14.012 5.69214 5.80953 5.11636 10.0453 6.86014 8.52463 8.86116 9.41441 7.95042 numMergedOcc 0
49 mol 24 unq 16 iso 1 dist 8.60554 10.0952 7.29868 14.012 6.72323 6.66749 5.11636 5.80953 5.69214 10.0453 8.86116 8.52463 6.86014 9.41441 7.95042 numMergedOcc 0
50 mol 24 unq 17 iso 0 dist 7.29868 10.0952 8.60554 6.66749 6.72323 14.012 5.69214 5.80953 5.11636 10.0453 11.0194 5.11617 13.2433 6.73939 10.9113 numMergedOcc 0
51 mol 24 unq 17 iso 1 dist 8.60554 10.0952 7.29868 14.012 6.72323 6.66749 5.11636 5.80953 5.69214 10.0453 13.2433 5.11617 11.0194 6.73939 10.9113 numMergedOcc 0
52 mol 25 unq 0 iso 0 dist 8.87757 15.5644 8.50222 7.33728 6.25843 9.34396 4.69295 9.16515 13.2447 4.98822 11.9561 6.08585 7.57578 6.16347 11.037 numMergedOcc 0
53 mol 25 unq 0 iso 1 dist 8.50222 15.5644 8.87757 9.34396 6.25843 7.33728 13.2447 9.16515 4.69295 4.98822 7.57578 6.08585 11.9561 6.16347 11.037 numMergedOcc 0
54 mol 25 unq 1 iso 0 dist 8.87757 15.5644 8.50222 7.33728 6.25843 9.34396 4.69295 9.16515 13.2447 4.98822 5.04899 5.77929 12.7009 7.45383 6.55597 numMergedOcc 0
55 mol 25 unq 1 iso 1 dist 8.50222 15.5644 8.87757 9.34396 6.25843 7.33728 13.2447 9.16515 4.69295 4.98822 12.7009 5.77929 5.04899 7.45383 6.55597 numMergedOcc 0
56 mol 25 unq 2 iso 0 dist 8.87757 15.5644 8.50222 7.33728 6.25843 9.34396 8.79309 9.82987 11.8139 7.91914 11.9561 6.08585 7.57578 6.16347 13.0315 numMergedOcc 0
57 mol 25 unq 2 iso 1 dist 8.50222 15.5644 8.87757 9.34396 6.25843 7.33728 11.8139 9.82987 8.79309 7.91914 7.57578 6.08585 11.9561 6.16347 13.0315 numMergedOcc 0
58 mol 25 unq 3 iso 0 dist 8.87757 15.5644 8.50222 7.33728 6.25843 9.34396 8.79309 9.82987 11.8139 7.91914 5.04899 5.77929 12.7009 7.45383 7.07751 numMergedOcc 0
59 mol 25 unq 3 iso 1 dist 8.50222 15.5644 8.87757 9.34396 6.25843 7.33728 11.8139 9.82987 8.79309 7.91914 12.7009 5.77929 5.04899 7.45383 7.07751 numMergedOcc 0
60 mol 25 unq 4 iso 0 dist 8.87757 15.5644 8.50222 7.33728 6.25843 9.34396 14.9206 9.40732 6.28979 10.9145 11.9561 6.08585 7.57578 6.16347 11.971 numMergedOcc 0
61 mol 25 unq 4 iso 1 dist 8.50222 15.5644 8.87757 9.34396 6.25843 7.33728 6.28979 9.40732 14.9206 10.9145 7.57578 6.08585 11.9561 6.16347 11.971 numMergedOcc 0
62 mol 25 unq 5 iso 0 dist 8.87757 15.5644 8.50222 7.33728 6.25843 9.34396 14.9206 9.40732 6.28979 10.9145 5.04899 5.77929 12.7009 7.45383 11.008 numMergedOcc 0
63 mol 25 unq 5 iso 1 dist 8.50222 15.5644 8.87757 9.34396 6.25843 7.33728 6.28979 9.40732 14.9206 10.9145 12.7009 5.77929 5.04899 7.45383 11.008 numMergedOcc 0
64 mol 25 unq 6 iso 0 dist 8.87757 15.5644 8.50222 7.33728 6.25843 9.34396 13.6145 6.53269 5.18617 9.62058 11.9561 6.08585 7.57578 6.16347 9.48085 numMergedOcc 0
65 mol 25 unq 6 iso 1 dist 8.50222 15.5644 8.87757 9.34396 6.25843 7.33728 5.18617 6.53269 13.6145 9.62058 7.57578 6.08585 11.9561 6.16347 9.48085 numMergedOcc 0
66 mol 25 unq 7 iso 0 dist 8.87757 15.5644 8.50222 7.33728 6.25843 9.34396 13.6145 6.53269 5.18617 9.62058 5.04899 5.77929 12.7009 7.45383 9.49421 numMergedOcc 0
67 mol 25 unq 7 iso 1 dist 8.50222 15.5644 8.87757 9.34396 6.25843 7.33728 5.18617 6.53269 13.6145 9.62058 12.7009 5.77929 5.04899 7.45383 9.49421 numMergedOcc 0
68 mol 25 unq 8 iso 0 dist 8.87757 15.5644 8.50222 13.9331 8.88938 10.5328 4.69295 9.16515 13.2447 13.4321 5.04899 5.77929 12.7009 9.01548 6.55597 numMergedOcc 0
69 mol 25 unq 8 iso 1 dist 8.50222 15.5644 8.87757 10.5328 8.88938 13.9331 13.2447 9.16515 4.69295 13.4321 12.7009 5.77929 5.04899 9.01548 6.55597 numMergedOcc 0
70 mol 25 unq 9 iso 0 dist 8.87757 15.5644 8.50222 13.9331 8.88938 10.5328 8.79309 9.82987 11.8139 9.66912 5.04899 5.77929 12.7009 9.01548 7.07751 numMergedOcc 0
71 mol 25 unq 9 iso 1 dist 8.50222 15.5644 8.87757 10.5328 8.88938 13.9331 11.8139 9.82987 8.79309 9.66912 12.7009 5.77929 5.04899 9.01548 7.07751 numMergedOcc 0
72 mol 25 unq 10 iso 0 dist 8.87757 15.5644 8.50222 13.9331 8.88938 10.5328 14.9206 9.40732 6.28979 5.86134 5.04899 5.77929 12.7009 9.01548 11.008 numMergedOcc 0
73 mol 25 unq 10 iso 1 dist 8.50222 15.5644 8.87757 10.5328 8.88938 13.9331 6.28979 9.40732 14.9206 5.86134 12.7009 5.77929 5.04899 9.01548 11.008 numMergedOcc 0
74 mol 25 unq 11 iso 0 dist 8.87757 15.5644 8.50222 13.9331 8.88938 10.5328 13.6145 6.53269 5.18617 5.38592 5.04899 5.77929 12.7009 9.01548 9.49421 numMergedOcc 0
75 mol 25 unq 11 iso 1 dist 8.50222 15.5644 8.87757 10.5328 8.88938 13.9331 5.18617 6.53269 13.6145 5.38592 12.7009 5.77929 5.04899 9.01548 9.49421 numMergedOcc 0
76 mol 25 unq 12 iso 0 dist 8.87757 16.1048 7.55264 7.33728 6.25843 10.8498 4.69295 9.16515 14.9982 4.98822 11.9561 6.08585 7.17969 6.16347 11.037 numMergedOcc 0
77 mol 25 unq 12 iso 1 dist 7.55264 16.1048 8.87757 10.8498 6.25843 7.33728 14.9982 9.16515 4.69295 4.98822 7.17969 6.08585 11.9561 6.16347 11.037 numMergedOcc 0
78 mol 25 unq 13 iso 0 dist 8.87757 16.1048 7.55264 7.33728 6.25843 10.8498 4.69295 9.16515 14.9982 4.98822 5.04899 5.77929 12.8117 7.45383 6.55597 numMergedOcc 0
79 mol 25 unq 13 iso 1 dist 7.55264 16.1048 8.87757 10.8498 6.25843 7.33728 14.9982 9.16515 4.69295 4.98822 12.8117 5.77929 5.04899 7.45383 6.55597 numMergedOcc 0
80 mol 25 unq 14 iso 0 dist 8.87757 16.1048 7.55264 7.33728 6.25843 10.8498 8.79309 9.82987 14.1251 7.91914 11.9561 6.08585 7.17969 6.16347 13.0315 numMergedOcc 0
81 mol 25 unq 14 iso 1 dist 7.55264 16.1048 8.87757 10.8498 6.25843 7.33728 14.1251 9.82987 8.79309 7.91914 7.17969 6.08585 11.9561 6.16347 13.0315 numMergedOcc 0
82 mol 25 unq 15 iso 0 dist 8.87757 16.1048 7.55264 7.33728 6.25843 10.8498 8.79309 9.82987 14.1251 7.91914 5.04899 5.77929 12.8117 7.45383 7.07751 numMergedOcc 0
83 mol 25 unq 15 iso 1 dist 7.55264 16.1048 8.87757 10.8498 6.25843 7.33728 14.1251 9.82987 8.79309 7.91914 12.8117 5.77929 5.04899 7.45383 7.07751 numMergedOcc 0
84 mol 25 unq 16 iso 0 dist 8.87757 16.1048 7.55264 7.33728 6.25843 10.8498 14.9206 9.40732 8.41421 10.9145 11.9561 6.08585 7.17969 6.16347 11.971 numMergedOcc 0
85 mol 25 unq 16 iso 1 dist 7.55264 16.1048 8.87757 10.8498 6.25843 7.33728 8.41421 9.40732 14.9206 10.9145 7.17969 6.08585 11.9561 6.16347 11.971 numMergedOcc 0
86 mol 25 unq 17 iso 0 dist 8.87757 16.1048 7.55264 7.33728 6.25843 10.8498 14.9206 9.40732 8.41421 10.9145 5.04899 5.77929 12.8117 7.45383 11.008 numMergedOcc 0
87 mol 25 unq 17 iso 1 dist 7.55264 16.1048 8.87757 10.8498 6.25843 7.33728 8.41421 9.40732 14.9206 10.9145 12.8117 5.77929 5.04899 7.45383 11.008 numMergedOcc 0
88 mol 25 unq 18 iso 0 dist 8.87757 16.1048 7.55264 7.33728 6.25843 10.8498 13.6145 6.53269 5.68041 9.62058 11.9561 6.08585 7.17969 6.16347 9.48085 numMergedOcc 0
89 mol 25 unq 18 iso 1 dist 7.55264 16.1048 8.87757 10.8498 6.25843 7.33728 5.68041 6.53269 13.6145 9.62058 7.17969 6.08585 11.9561 6.16347 9.48085 numMergedOcc 0
90 mol 25 unq 19 iso 0 dist 8.87757 16.1048 7.55264 7.33728 6.25843 10.8498 13.6145 6.53269 5.68041 9.62058 5.04899 5.77929 12.8117 7.45383 9.49421 numMergedOcc 0
91 mol 25 unq 19 iso 1 dist 7.55264 16.1048 8.87757 10.8498 6.25843 7.33728 5.68041 6.53269 13.6145 9.62058 12.8117 5.77929 5.04899 7.45383 9.49421 numMergedOcc 0
92 mol 25 unq 20 iso 0 dist 8.87757 16.1048 7.55264 13.9331 8.88938 10.4337 4.69295 9.16515 14.9982 13.4321 5.04899 5.77929 12.8117 9.01548 6.55597 numMergedOcc 0
93 mol 25 unq 20 iso 1 dist 7.55264 16.1048 8.87757 10.4337 8.88938 13.9331 14.9982 9.16515 4.69295 13.4321 12.8117 5.77929 5.04899 9.01548 6.55597 numMergedOcc 0
94 mol 25 unq 21 iso 0 dist 8.87757 16.1048 7.55264 13.9331 8.88938 10.4337 8.79309 9.82987 14.1251 9.66912 5.04899 5.77929 12.8117 9.01548 7.07751 numMergedOcc 0
95 mol 25 unq 21 iso 1 dist 7.55264 16.1048 8.87757 10.4337 8.88938 13.9331 14.1251 9.82987 8.79309 9.66912 12.8117 5.77929 5.04899 9.01548 7.07751 numMergedOcc 0
96 mol 25 unq 22 iso 0 dist 8.87757 16.1048 7.55264 13.9331 8.88938 10.4337 14.9206 9.40732 8.41421 5.86134 5.04899 5.77929 12.8117 9.01548 11.008 numMergedOcc 0
97 mol 25 unq 22 iso 1 dist 7.55264 16.1048 8.87757 10.4337 8.88938 13.9331 8.41421 9.40732 14.9206 5.86134 12.8117 5.77929 5.04899 9.01548 11.008 numMergedOcc 0
98 mol 25 unq 23 iso 0 dist 8.87757 16.1048 7.55264 13.9331 8.88938 10.4337 13.6145 6.53269 5.68041 5.38592 5.04899 5.77929 12.8117 9.01548 9.49421 numMergedOcc 0
99 mol 25 unq 23 iso 1 dist 7.55264 16.1048 8.87757 10.4337 8.88938 13.9331 5.68041 6.53269 13.6145 5.38592 12.8117 5.77929 5.04899 9.01548 9.49421 numMergedOcc 0
100 mol 25 unq 24 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 5.63212 5.20109 6.47509 3.904 11.9561 7.33728 5.04899 8.87757 7.05196 numMergedOcc 0
101 mol 25 unq 24 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 6.47509 5.20109 5.63212 3.904 5.04899 7.33728 11.9561 8.87757 7.05196 numMergedOcc 0
102 mol 25 unq 25 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 5.63212 5.20109 6.47509 3.904 7.57578 9.34396 12.7009 8.50222 10.9703 numMergedOcc 0
103 mol 25 unq 25 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 6.47509 5.20109 5.63212 3.904 12.7009 9.34396 7.57578 8.50222 10.9703 numMergedOcc 0
104 mol 25 unq 26 iso 0 dist 6.16347 10.9391 7.45383 6.08585 6.25843 5.77929 5.63212 5.20109 6.47509 3.904 7.17969 10.8498 12.8117 7.55264 10.3338 numMergedOcc 0
105 mol 25 unq 26 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 6.47509 5.20109 5.63212 3.904 12.8117 10.8498 7.17969 7.55264 10.3338 numMergedOcc 0
106 mol 25 unq 12 iso 0 dist 8.50222 4.33106 7.55264 9.34396 6.25843 10.8498 13.2447 9.16515 14.9982 4.98822 7.57578 6.08585 7.17969 6.16347 11.037 numMergedOcc 0
107 mol 25 unq 12 iso 1 dist 7.55264 4.33106 8.50222 10.8498 6.25843 9.34396 14.9982 9.16515 13.2447 4.98822 7.17969 6.08585 7.57578 6.16347 11.037 numMergedOcc 0
108 mol 25 unq 13 iso 0 dist 8.50222 4.33106 7.55264 9.34396 6.25843 10.8498 13.2447 9.16515 14.9982 4.98822 12.7009 5.77929 12.8117 7.45383 6.55597 numMergedOcc 0
109 mol 25 unq 13 iso 1 dist 7.55264 4.33106 8.50222 10.8498 6.25843 9.34396 14.9982 9.16515 13.2447 4.98822 12.8117 5.77929 12.7009 7.45383 6.55597 numMergedOcc 0
110 mol 25 unq 14 iso 0 dist 8.50222 4.33106 7.55264 9.34396 6.25843 10.8498 11.8139 9.82987 14.1251 7.91914 7.57578 6.08585 7.17969 6.16347 13.0315 numMergedOcc 0
111 mol 25 unq 14 iso 1 dist 7.55264 4.33106 8.50222 10.8498 6.25843 9.34396 14.1251 9.82987 11.8139 7.91914 7.17969 6.08585 7.57578 6.16347 13.0315 numMergedOcc 0
112 mol 25 unq 15 iso 0 dist 8.50222 4.33106 7.55264 9.34396 6.25843 10.8498 11.8139 9.82987 14.1251 7.91914 12.7009 5.77929 12.8117 7.45383 7.07751 numMergedOcc 0
113 mol 25 unq 15 iso 1 dist 7.55264 4.33106 8.50222 10.8498 6.25843 9.34396 14.1251 9.82987 11.8139 7.91914 12.8117 5.77929 12.7009 7.45383 7.07751 numMergedOcc 0
114 mol 25 unq 16 iso 0 dist 8.50222 4.33106 7.55264 9.34396 6.25843 10.8498 6.28979 9.40732 8.41421 10.9145 7.57578 6.08585 7.17969 6.16347 11.971 numMergedOcc 0
115 mol 25 unq 16 iso 1 dist 7.55264 4.33106 8.50222 10.8498 6.25843 9.34396 8.41421 9.40732 6.28979 10.9145 7.17969 6.08585 7.57578 6.16347 11.971 numMergedOcc 0
116 mol 25 unq 17 iso 0 dist 8.50222 4.33106 7.55264 9.34396 6.25843 10.8498 6.28979 9.40732 8.41421 10.9145 12.7009 5.77929 12.8117 7.45383 11.008 numMergedOcc 0
117 mol 25 unq 17 iso 1 dist 7.55264 4.33106 8.50222 10.8498 6.25843 9.34396 8.41421 9.40732 6.28979 10.9145 12.8117 5.77929 12.7009 7.45383 11.008 numMergedOcc 0
118 mol 25 unq 18 iso 0 dist 8.50222 4.33106 7.55264 9.34396 6.25843 10.8498 5.18617 6.53269 5.68041 9.62058 7.57578 6.08585 7.17969 6.16347 9.48085 numMergedOcc 0
119 mol 25 unq 18 iso 1 dist 7.55264 4.33106 8.50222 10.8498 6.25843 9.34396 5.68041 6.53269 5.18617 9.62058 7.17969 6.08585 7.57578 6.16347 9.48085 numMergedOcc 0
120 mol 25 unq 19 iso 0 dist 8.50222 4.33106 7.55264 9.34396 6.25843 10.8498 5.18617 6.53269 5.68041 9.62058 12.7009 5.77929 12.8117 7.45383 9.49421 numMergedOcc 0
121 mol 25 unq 19 iso 1 dist 7.55264 4.33106 8.50222 10.8498 6.25843 9.34396 5.68041 6.53269 5.18617 9.62058 12.8117 5.77929 12.7009 7.45383 9.49421 numMergedOcc 0
122 mol 25 unq 20 iso 0 dist 8.50222 4.33106 7.55264 10.5328 8.88938 10.4337 13.2447 9.16515 14.9982 13.4321 12.7009 5.77929 12.8117 9.01548 6.55597 numMergedOcc 0
123 mol 25 unq 20 iso 1 dist 7.55264 4.33106 8.50222 10.4337 8.88938 10.5328 14.9982 9.16515 13.2447 13.4321 12.8117 5.77929 12.7009 9.01548 6.55597 numMergedOcc 0
124 mol 25 unq 21 iso 0 dist 8.50222 4.33106 7.55264 10.5328 8.88938 10.4337 11.8139 9.82987 14.1251 9.66912 12.7009 5.77929 12.8117 9.01548 7.07751 numMergedOcc 0
125 mol 25 unq 21 iso 1 dist 7.55264 4.33106 8.50222 10.4337 8.88938 10.5328 14.1251 9.82987 11.8139 9.66912 12.8117 5.77929 12.7009 9.01548 7.07751 numMergedOcc 0
126 mol 25 unq 22 iso 0 dist 8.50222 4.33106 7.55264 10.5328 8.88938 10.4337 6.28979 9.40732 8.41421 5.86134 12.7009 5.77929 12.8117 9.01548 11.008 numMergedOcc 0
127 mol 25 unq 22 iso 1 dist 7.55264 4.33106 8.50222 10.4337 8.88938 10.5328 8.41421 9.40732 6.28979 5.86134 12.8117 5.77929 12.7009 9.01548 11.008 numMergedOcc 0
128 mol 25 unq 23 iso 0 dist 8.50222 4.33106 7.55264 10.5328 8.88938 10.4337 5.18617 6.53269 5.68041 5.38592 12.7009 5.77929 12.8117 9.01548 9.49421 numMergedOcc 0
129 mol 25 unq 23 iso 1 dist 7.55264 4.33106 8.50222 10.4337 8.88938 10.5328 5.68041 6.53269 5.18617 5.38592 12.8117 5.77929 12.7009 9.01548 9.49421 numMergedOcc 0
130 mol 100 unq 0 iso 0 dist 7.01812 5.88134 8.30845 10.6848 9.5057 15.3454 4.03277 6.59691 6.23008 12.48 10.1489 5.42531 13.2001 7.80975 9.21662 numMergedOcc 0
131 mol 100 unq 0 iso 1 dist 8.30845 5.88134 7.01812 15.3454 9.5057 10.6848 6.23008 6.59691 4.03277 12.48 13.2001 5.42531 10.1489 7.80975 9.21662 numMergedOcc 0
132 mol 100 unq 1 iso 0 dist 7.01812 5.88134 8.30845 10.6848 9.5057 15.3454 4.03277 6.59691 6.23008 12.48 7.17106 8.4128 10.5134 7.10378 10.5432 numMergedOcc 0
133 mol 100 unq 1 iso 1 dist 8.30845 5.88134 7.01812 15.3454 9.5057 10.6848 6.23008 6.59691 4.03277 12.48 10.5134 8.4128 7.17106 7.10378 10.5432 numMergedOcc 0
134 mol 134 unq 0 iso 0 dist 7.69991 5.00526 6.23142 7.41674 6.40575 9.87376 12.847 9.0176 8.06642 15.0575 9.89303 4.60632 9.93925 5.83771 13.0242 numMergedOcc 0
135 mol 134 unq 0 iso 1 dist 6.23142 5.00526 7.69991 9.87376 6.40575 7.41674 8.06642 9.0176 12.847 15.0575 9.93925 4.60632 9.89303 5.83771 13.0242 numMergedOcc 0
136 mol 134 unq 1 iso 0 dist 7.69991 5.00526 6.23142 7.41674 6.40575 9.87376 12.847 9.0176 8.06642 15.0575 6.54501 5.71679 6.49416 7.80532 11.988 numMergedOcc 0
137 mol 134 unq 1 iso 1 dist 6.23142 5.00526 7.69991 9.87376 6.40575 7.41674 8.06642 9.0176 12.847 15.0575 6.49416 5.71679 6.54501 7.80532 11.988 numMergedOcc 0
138 mol 134 unq 2 iso 0 dist 7.69991 11.3271 9.94764 7.41674 6.40575 14.9876 12.847 9.0176 4.00092 15.0575 9.89303 4.60632 14.423 5.83771 13.0242 numMergedOcc 0
139 mol 134 unq 2 iso 1 dist 9.94764 11.3271 7.69991 14.9876 6.40575 7.41674 4.00092 9.0176 12.847 15.0575 14.423 4.60632 9.89303 5.83771 13.0242 numMergedOcc 0
140 mol 134 unq 3 iso 0 dist 7.69991 11.3271 9.94764 7.41674 6.40575 14.9876 12.847 9.0176 4.00092 15.0575 6.54501 5.71679 12.5075 7.80532 11.988 numMergedOcc 0
141 mol 134 unq 3 iso 1 dist 9.94764 11.3271 7.69991 14.9876 6.40575 7.41674 4.00092 9.0176 12.847 15.0575 12.5075 5.71679 6.54501 7.80532 11.988 numMergedOcc 0
142 mol 134 unq 2 iso 0 dist 6.23142 6.81259 9.94764 9.87376 6.40575 14.9876 8.06642 9.0176 4.00092 15.0575 9.93925 4.60632 14.423 5.83771 13.0242 numMergedOcc 0
143 mol 134 unq 2 iso 1 dist 9.94764 6.81259 6.23142 14.9876 6.40575 9.87376 4.00092 9.0176 8.06642 15.0575 14.423 4.60632 9.93925 5.83771 13.0242 numMergedOcc 0
144 mol 134 unq 3 iso 0 dist 6.23142 6.81259 9.94764 9.87376 6.40575 14.9876 8.06642 9.0176 4.00092 15.0575 6.49416 5.71679 12.5075 7.80532 11.988 numMergedOcc 0
145 mol 134 unq 3 iso 1 dist 9.94764 6.81259 6.23142 14.9876 6.40575 9.87376 4.00092 9.0176 8.06642 15.0575 12.5075 5.71679 6.49416 7.80532 11.988 numMergedOcc 0
146 mol 171 unq 0 iso 0 dist 6.64834 4.91149 5.93786 4.78075 5.25109 7.9651 8.99935 9.34834 9.35703 10.0655 13.05 11.5561 14.9792 9.61462 19.4298 numMergedOcc 0
147 mol 171 unq 0 iso 1 dist 5.93786 4.91149 6.64834 7.9651 5.25109 4.78075 9.35703 9.34834 8.99935 10.0655 14.9792 11.5561 13.05 9.61462 19.4298 numMergedOcc 0
148 mol 171 unq 1 iso 0 dist 6.64834 4.91149 5.93786 4.78075 5.25109 7.9651 7.15048 5.74846 9.14311 4.88147 13.05 11.5561 14.9792 9.61462 13.5 numMergedOcc 0
149 mol 171 unq 1 iso 1 dist 5.93786 4.91149 6.64834 7.9651 5.25109 4.78075 9.14311 5.74846 7.15048 4.88147 14.9792 11.5561 13.05 9.61462 13.5 numMergedOcc 0
150 mol 171 unq 2 iso 0 dist 6.64834 11.6409 8.24693 4.78075 5.25109 12.6853 8.99935 9.34834 14.4375 10.0655 13.05 11.5561 16.2078 9.61462 19.4298 numMergedOcc 0
151 mol 171 unq 2 iso 1 dist 8.24693 11.6409 6.64834 12.6853 5.25109 4.78075 14.4375 9.34834 8.99935 10.0655 16.2078 11.5561 13.05 9.61462 19.4298 numMergedOcc 0
152 mol 171 unq 3 iso 0 dist 6.64834 11.6409 8.24693 4.78075 5.25109 12.6853 7.15048 5.74846 13.6262 4.88147 13.05 11.5561 16.2078 9.61462 13.5 numMergedOcc 0
153 mol 171 unq 3 iso 1 dist 8.24693 11.6409 6.64834 12.6853 5.25109 4.78075 13.6262 5.74846 7.15048 4.88147 16.2078 11.5561 13.05 9.61462 13.5 numMergedOcc 0
154 mol 171 unq 4 iso 0 dist 6.64834 5.51687 7.36698 4.78075 5.25109 5.90026 8.99935 9.34834 4.66982 10.0655 13.05 11.5561 15.4802 9.61462 19.4298 numMergedOcc 0
155 mol 171 unq 4 iso 1 dist 7.36698 5.51687 6.64834 5.90026 5.25109 4.78075 4.66982 9.34834 8.99935 10.0655 15.4802 11.5561 13.05 9.61462 19.4298 numMergedOcc 0
156 mol 171 unq 5 iso 0 dist 6.64834 5.51687 7.36698 4.78075 5.25109 5.90026 7.15048 5.74846 3.65288 4.88147 13.05 11.5561 15.4802 9.61462 13.5 numMergedOcc 0
157 mol 171 unq 5 iso 1 dist 7.36698 5.51687 6.64834 5.90026 5.25109 4.78075 3.65288 5.74846 7.15048 4.88147 15.4802 11.5561 13.05 9.61462 13.5 numMergedOcc 0
158 mol 171 unq 2 iso 0 dist 5.93786 7.31409 8.24693 7.9651 5.25109 12.6853 9.35703 9.34834 14.4375 10.0655 14.9792 11.5561 16.2078 9.61462 19.4298 numMergedOcc 0
159 mol 171 unq 2 iso 1 dist 8.24693 7.31409 5.93786 12.6853 5.25109 7.9651 14.4375 9.34834 9.35703 10.0655 16.2078 11.5561 14.9792 9.61462 19.4298 numMergedOcc 0
160 mol 171 unq 3 iso 0 dist 5.93786 7.31409 8.24693 7.9651 5.25109 12.6853 9.14311 5.74846 13.6262 4.88147 14.9792 11.5561 16.2078 9.61462 13.5 numMergedOcc 0
161 mol 171 unq 3 iso 1 dist 8.24693 7.31409 5.93786 12.6853 5.25109 7.9651 13.6262 5.74846 9.14311 4.88147 16.2078 11.5561 14.9792 9.61462 13.5 numMergedOcc 0
162 mol 171 unq 4 iso 0 dist 5.93786 8.07119 7.36698 7.9651 5.25109 5.90026 9.35703 9.34834 4.66982 10.0655 14.9792 11.5561 15.4802 9.61462 19.4298 numMergedOcc 0
163 mol 171 unq 4 iso 1 dist 7.36698 8.07119 5.93786 5.90026 5.25109 7.9651 4.66982 9.34834 9.35703 10.0655 15.4802 11.5561 14.9792 9.61462 19.4298 numMergedOcc 0
164 mol 171 unq 5 iso 0 dist 5.93786 8.07119 7.36698 7.9651 5.25109 5.90026 9.14311 5.74846 3.65288 4.88147 14.9792 11.5561 15.4802 9.61462 13.5 numMergedOcc 0
165 mol 171 unq 5 iso 1 dist 7.36698 8.07119 5.93786 5.90026 5.25109 7.9651 3.65288 5.74846 9.14311 4.88147 15.4802 11.5561 14.9792 9.61462 13.5 numMergedOcc 0
166 mol 171 unq 4 iso 0 dist 8.24693 14.1033 7.36698 12.6853 5.25109 5.90026 14.4375 9.34834 4.66982 10.0655 16.2078 11.5561 15.4802 9.61462 19.4298 numMergedOcc 0
167 mol 171 unq 4 iso 1 dist 7.36698 14.1033 8.24693 5.90026 5.25109 12.6853 4.66982 9.34834 14.4375 10.0655 15.4802 11.5561 16.2078 9.61462 19.4298 numMergedOcc 0
168 mol 171 unq 5 iso 0 dist 8.24693 14.1033 7.36698 12.6853 5.25109 5.90026 13.6262 5.74846 3.65288 4.88147 16.2078 11.5561 15.4802 9.61462 13.5 numMergedOcc 0
169 mol 171 unq 5 iso 1 dist 7.36698 14.1033 8.24693 5.90026 5.25109 12.6853 3.65288 5.74846 13.6262 4.88147 15.4802 11.5561 16.2078 9.61462 13.5 numMergedOcc 0
170 mol 232 unq 0 iso 0 dist 8.50102 6.56633 9.40808 12.3508 9.8664 8.80479 9.74344 9.9183 5.10213 11.2243 10.5803 4.9377 8.27212 9.05071 6.71524 numMergedOcc 0
171 mol 232 unq 0 iso 1 dist 9.40808 6.56633 8.50102 8.80479 9.8664 12.3508 5.10213 9.9183 9.74344 11.2243 8.27212 4.9377 10.5803 9.05071 6.71524 numMergedOcc 0
172 mol 273 unq 0 iso 0 dist 8.83865 5.96724 9.18157 12.0136 7.16346 12.1851 4.24707 7.85836 6.65672 8.43367 13.3579 4.60101 13.4294 8.49177 12.205 numMergedOcc 0
173 mol 273 unq 0 iso 1 dist 9.18157 5.96724 8.83865 12.1851 7.16346 12.0136 6.65672 7.85836 4.24707 8.43367 13.4294 4.60101 13.3579 8.49177 12.205 numMergedOcc 0
174 mol 273 unq 1 iso 0 dist 8.83865 5.96724 9.18157 12.0136 7.16346 12.1851 8.56043 6.35532 8.81454 3.78984 13.3579 4.60101 13.4294 8.49177 9.59325 numMergedOcc 0
175 mol 273 unq 1 iso 1 dist 9.18157 5.96724 8.83865 12.1851 7.16346 12.0136 8.81454 6.35532 8.56043 3.78984 13.4294 4.60101 13.3579 8.49177 9.59325 numMergedOcc 0
176 mol 274 unq 0 iso 0 dist 8.52587 11.3308 6.39866 6.20558 6.88827 6.16703 16.9539 8.60027 8.87855 13.3632 7.56915 5.29529 11.3168 9.85289 12.8334 numMergedOcc 0
177 mol 274 unq 0 iso 1 dist 6.39866 11.3308 8.52587 6.16703 6.88827 6.20558 8.87855 8.60027 16.9539 13.3632 11.3168 5.29529 7.56915 9.85289 12.8334 numMergedOcc 0
