0 mol 15 unq 0 iso 0 dist 8.38064 9.97507 9.03536 7.48342 4.39605 12.1303 11.7498 10.6338 18.3783 6.42748 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 9.97507 8.38064 9.03536 7.48342 12.1303 4.39605 11.7498 18.3783 10.6338 6.42748 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 5.05803 6.31718 6.92781 6.93532 5.30082 10.4366 10.4852 11.0958 15.8605 6.72833 numMergedOcc 0
3 mol 16 unq 0 iso 1 dist 6.31718 5.05803 6.92781 6.93532 10.4366 5.30082 10.4852 15.8605 11.0958 6.72833 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 7.75618 4.96411 9.74255 7.67038 10.4091 8.4674 8.40416 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 7.75618 9.74255 4.96411 7.67038 8.4674 10.4091 8.40416 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 7.20519 6.864 7.07775 7.75618 4.96411 7.08342 7.67038 10.4091 4.51865 8.40416 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 6.864 7.20519 7.07775 7.75618 7.08342 4.96411 7.67038 4.51865 10.4091 8.40416 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 8.4674 4.51865 5.80928 8.40416 9.74255 7.08342 7.67038 4.54938 6.864 7.75618 numMergedOcc 0
9 mol 19 unq 2 iso 1 dist 4.51865 8.4674 5.80928 8.40416 7.08342 9.74255 7.67038 6.864 4.54938 7.75618 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 8.4674 4.54938 7.67038 6.41575 4.64838 4.97119 5.80928 4.51865 6.864 6.41423 numMergedOcc 0
11 mol 19 unq 3 iso 1 dist 4.54938 8.4674 7.67038 6.41575 4.97119 4.64838 5.80928 6.864 4.51865 6.41423 numMergedOcc 0
12 mol 19 unq 4 iso 0 dist 8.4674 7.82074 10.3915 6.41575 4.64838 6.01808 5.80928 4.51865 11.0366 6.41423 numMergedOcc 0
13 mol 19 unq 4 iso 1 dist 7.82074 8.4674 10.3915 6.41575 6.01808 4.64838 5.80928 11.0366 4.51865 6.41423 numMergedOcc 0
14 mol 19 unq 1 iso 0 dist 4.54938 6.864 5.80928 7.75618 9.74255 7.08342 7.67038 8.4674 4.51865 8.40416 numMergedOcc 0
15 mol 19 unq 1 iso 1 dist 6.864 4.54938 5.80928 7.75618 7.08342 9.74255 7.67038 4.51865 8.4674 8.40416 numMergedOcc 0
16 mol 19 unq 4 iso 0 dist 4.54938 7.82074 5.03957 6.41575 4.97119 6.01808 5.80928 6.864 11.0366 6.41423 numMergedOcc 0
17 mol 19 unq 4 iso 1 dist 7.82074 4.54938 5.03957 6.41575 6.01808 4.97119 5.80928 11.0366 6.864 6.41423 numMergedOcc 0
18 mol 19 unq 3 iso 0 dist 4.51865 6.864 7.67038 6.41423 4.64838 4.97119 5.80928 8.4674 4.54938 6.41575 numMergedOcc 0
19 mol 19 unq 3 iso 1 dist 6.864 4.51865 7.67038 6.41423 4.97119 4.64838 5.80928 4.54938 8.4674 6.41575 numMergedOcc 0
20 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 11.4989 11.0194 13.2433 6.73939 numMergedOcc 0
21 mol 24 unq 0 iso 1 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 11.4989 13.2433 11.0194 6.73939 numMergedOcc 0
22 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 14.6259 15.5324 17.8264 8.4051 numMergedOcc 0
23 mol 24 unq 1 iso 1 dist 8.38394 8.86116 6.44287 8.60554 12.3994 8.52463 14.6259 17.8264 15.5324 8.4051 numMergedOcc 0
24 mol 24 unq 2 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 10.0952 6.86014 12.5077 7.29868 numMergedOcc 0
25 mol 24 unq 2 iso 1 dist 8.38394 8.86116 6.44287 8.60554 12.3994 8.52463 10.0952 12.5077 6.86014 7.29868 numMergedOcc 0
26 mol 24 unq 3 iso 0 dist 8.86116 8.38394 6.44287 9.44691 13.4893 12.505 14.6259 15.5324 17.8264 8.75662 numMergedOcc 0
27 mol 24 unq 3 iso 1 dist 8.38394 8.86116 6.44287 9.44691 12.505 13.4893 14.6259 17.8264 15.5324 8.75662 numMergedOcc 0
28 mol 24 unq 4 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 15.5315 11.0194 20.3888 7.29868 numMergedOcc 0
29 mol 24 unq 4 iso 1 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 15.5315 20.3888 11.0194 7.29868 numMergedOcc 0
30 mol 24 unq 5 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 14.6259 13.2433 15.5296 8.60554 numMergedOcc 0
31 mol 24 unq 5 iso 1 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 14.6259 15.5296 13.2433 8.60554 numMergedOcc 0
32 mol 24 unq 6 iso 0 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 14.6259 13.2433 15.5296 9.44691 numMergedOcc 0
33 mol 24 unq 6 iso 1 dist 7.36323 5.54419 12.3067 8.75662 6.7828 10.8238 14.6259 15.5296 13.2433 9.44691 numMergedOcc 0
34 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 6.16347 9.34396 10.8498 10.9391 12.7009 12.8117 7.45383 numMergedOcc 0
35 mol 25 unq 0 iso 1 dist 7.17969 7.57578 4.33106 6.16347 10.8498 9.34396 10.9391 12.8117 12.7009 7.45383 numMergedOcc 0
36 mol 25 unq 1 iso 0 dist 7.57578 7.17969 4.33106 7.92503 6.11127 5.30154 10.6808 13.7311 12.9968 8.6653 numMergedOcc 0
37 mol 25 unq 1 iso 1 dist 7.17969 7.57578 4.33106 7.92503 5.30154 6.11127 10.6808 12.9968 13.7311 8.6653 numMergedOcc 0
38 mol 25 unq 2 iso 0 dist 7.31767 6.03987 4.51512 8.6653 5.64303 5.82503 10.6808 12.4135 11.6743 7.92503 numMergedOcc 0
39 mol 25 unq 2 iso 1 dist 6.03987 7.31767 4.51512 8.6653 5.82503 5.64303 10.6808 11.6743 12.4135 7.92503 numMergedOcc 0
40 mol 85 unq 0 iso 0 dist 7.95579 6.19965 4.26409 7.54568 10.2865 8.09967 10.1164 15.309 11.2656 9.39864 numMergedOcc 0
41 mol 85 unq 0 iso 1 dist 6.19965 7.95579 4.26409 7.54568 8.09967 10.2865 10.1164 11.2656 15.309 9.39864 numMergedOcc 0
42 mol 85 unq 1 iso 0 dist 7.95579 7.66905 10.7229 7.54568 10.2865 4.65335 10.1164 15.309 5.73196 9.39864 numMergedOcc 0
43 mol 85 unq 1 iso 1 dist 7.66905 7.95579 10.7229 7.54568 4.65335 10.2865 10.1164 5.73196 15.309 9.39864 numMergedOcc 0
44 mol 85 unq 1 iso 0 dist 6.19965 7.66905 6.9948 7.54568 8.09967 4.65335 10.1164 11.2656 5.73196 9.39864 numMergedOcc 0
45 mol 85 unq 1 iso 1 dist 7.66905 6.19965 6.9948 7.54568 4.65335 8.09967 10.1164 5.73196 11.2656 9.39864 numMergedOcc 0
46 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 7.01812 5.80144 8.4128 5.88134 6.65086 10.5134 8.30845 numMergedOcc 0
47 mol 100 unq 0 iso 1 dist 7.17106 9.60661 11.5403 7.01812 8.4128 5.80144 5.88134 10.5134 6.65086 8.30845 numMergedOcc 0
48 mol 100 unq 1 iso 0 dist 9.60661 9.35224 7.80879 7.01812 5.80144 10.0456 5.88134 6.65086 6.56369 8.30845 numMergedOcc 0
49 mol 100 unq 1 iso 1 dist 9.35224 9.60661 7.80879 7.01812 10.0456 5.80144 5.88134 6.56369 6.65086 8.30845 numMergedOcc 0
50 mol 100 unq 1 iso 0 dist 7.17106 9.35224 8.87654 7.01812 8.4128 10.0456 5.88134 10.5134 6.56369 8.30845 numMergedOcc 0
51 mol 100 unq 1 iso 1 dist 9.35224 7.17106 8.87654 7.01812 10.0456 8.4128 5.88134 6.56369 10.5134 8.30845 numMergedOcc 0
52 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 5.88134 12.0662 9.60661 7.01812 numMergedOcc 0
53 mol 100 unq 2 iso 1 dist 6.65086 7.47343 8.8807 8.30845 5.80144 12.2861 5.88134 9.60661 12.0662 7.01812 numMergedOcc 0
54 mol 100 unq 3 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 5.88134 12.0662 9.35224 7.01812 numMergedOcc 0
55 mol 100 unq 3 iso 1 dist 6.56369 7.47343 12.6515 8.30845 10.0456 12.2861 5.88134 9.35224 12.0662 7.01812 numMergedOcc 0
56 mol 100 unq 4 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 5.88134 12.0662 10.5853 7.01812 numMergedOcc 0
57 mol 100 unq 4 iso 1 dist 9.30209 7.47343 13.887 8.30845 6.70236 12.2861 5.88134 10.5853 12.0662 7.01812 numMergedOcc 0
58 mol 100 unq 3 iso 0 dist 6.65086 6.56369 7.80879 8.30845 5.80144 10.0456 5.88134 9.60661 9.35224 7.01812 numMergedOcc 0
59 mol 100 unq 3 iso 1 dist 6.56369 6.65086 7.80879 8.30845 10.0456 5.80144 5.88134 9.35224 9.60661 7.01812 numMergedOcc 0
60 mol 100 unq 4 iso 0 dist 6.65086 9.30209 5.38414 8.30845 5.80144 6.70236 5.88134 9.60661 10.5853 7.01812 numMergedOcc 0
61 mol 100 unq 4 iso 1 dist 9.30209 6.65086 5.38414 8.30845 6.70236 5.80144 5.88134 10.5853 9.60661 7.01812 numMergedOcc 0
62 mol 100 unq 4 iso 0 dist 6.56369 9.30209 6.39938 8.30845 10.0456 6.70236 5.88134 9.35224 10.5853 7.01812 numMergedOcc 0
63 mol 100 unq 4 iso 1 dist 9.30209 6.56369 6.39938 8.30845 6.70236 10.0456 5.88134 10.5853 9.35224 7.01812 numMergedOcc 0
64 mol 115 unq 0 iso 0 dist 7.11972 6.90986 10.498 5.88249 6.77806 5.31484 6.5838 5.11551 11.4095 6.92026 numMergedOcc 0
65 mol 115 unq 0 iso 1 dist 6.90986 7.11972 10.498 5.88249 5.31484 6.77806 6.5838 11.4095 5.11551 6.92026 numMergedOcc 0
66 mol 115 unq 1 iso 0 dist 7.11972 6.90986 10.498 5.88249 6.77806 5.31484 5.67807 11.8863 5.39945 6.97707 numMergedOcc 0
67 mol 115 unq 1 iso 1 dist 6.90986 7.11972 10.498 5.88249 5.31484 6.77806 5.67807 5.39945 11.8863 6.97707 numMergedOcc 0
68 mol 133 unq 0 iso 0 dist 6.5107 9.52634 9.56949 6.66772 7.12976 4.34568 6.69554 9.66421 9.91388 9.97654 numMergedOcc 0
69 mol 133 unq 0 iso 1 dist 9.52634 6.5107 9.56949 6.66772 4.34568 7.12976 6.69554 9.91388 9.66421 9.97654 numMergedOcc 0
70 mol 133 unq 1 iso 0 dist 6.5107 9.52634 9.56949 6.66772 7.12976 4.34568 7.6656 12.0352 7.24514 7.71248 numMergedOcc 0
71 mol 133 unq 1 iso 1 dist 9.52634 6.5107 9.56949 6.66772 4.34568 7.12976 7.6656 7.24514 12.0352 7.71248 numMergedOcc 0
72 mol 133 unq 2 iso 0 dist 7.24514 8.22656 6.65743 7.71248 4.34568 10.6025 6.761 9.91388 10.0372 9.97654 numMergedOcc 0
73 mol 133 unq 2 iso 1 dist 8.22656 7.24514 6.65743 7.71248 10.6025 4.34568 6.761 10.0372 9.91388 9.97654 numMergedOcc 0
74 mol 133 unq 3 iso 0 dist 7.24514 8.22656 6.65743 7.71248 4.34568 10.6025 7.6656 9.52634 13.4163 6.66772 numMergedOcc 0
75 mol 133 unq 3 iso 1 dist 8.22656 7.24514 6.65743 7.71248 10.6025 4.34568 7.6656 13.4163 9.52634 6.66772 numMergedOcc 0
76 mol 134 unq 0 iso 0 dist 9.89303 6.54501 5.79898 7.69991 4.60632 5.71679 5.00526 9.93925 6.49416 6.23142 numMergedOcc 0
77 mol 134 unq 0 iso 1 dist 6.54501 9.89303 5.79898 7.69991 5.71679 4.60632 5.00526 6.49416 9.93925 6.23142 numMergedOcc 0
78 mol 134 unq 1 iso 0 dist 9.89303 6.54501 5.79898 7.69991 4.60632 5.71679 11.3271 14.423 12.5075 9.94764 numMergedOcc 0
79 mol 134 unq 1 iso 1 dist 6.54501 9.89303 5.79898 7.69991 5.71679 4.60632 11.3271 12.5075 14.423 9.94764 numMergedOcc 0
80 mol 134 unq 2 iso 0 dist 6.54501 6.49416 5.00526 7.80532 7.41674 9.87376 5.79898 9.89303 9.93925 5.83771 numMergedOcc 0
81 mol 134 unq 2 iso 1 dist 6.49416 6.54501 5.00526 7.80532 9.87376 7.41674 5.79898 9.93925 9.89303 5.83771 numMergedOcc 0
82 mol 134 unq 2 iso 0 dist 8.94367 6.37586 5.49782 6.23142 4.57832 5.29786 5.00526 11.9139 9.5126 7.69991 numMergedOcc 0
83 mol 134 unq 2 iso 1 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 5.00526 9.5126 11.9139 7.69991 numMergedOcc 0
84 mol 134 unq 3 iso 0 dist 8.94367 6.37586 5.49782 6.23142 4.57832 5.29786 6.81259 9.86662 9.71307 9.94764 numMergedOcc 0
85 mol 134 unq 3 iso 1 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 6.81259 9.71307 9.86662 9.94764 numMergedOcc 0
86 mol 134 unq 4 iso 0 dist 8.94367 6.49416 8.80819 6.23142 4.57832 5.71679 5.00526 11.9139 6.54501 7.69991 numMergedOcc 0
87 mol 134 unq 4 iso 1 dist 6.49416 8.94367 8.80819 6.23142 5.71679 4.57832 5.00526 6.54501 11.9139 7.69991 numMergedOcc 0
88 mol 134 unq 5 iso 0 dist 8.94367 6.49416 8.80819 6.23142 4.57832 5.71679 6.81259 9.86662 12.5075 9.94764 numMergedOcc 0
89 mol 134 unq 5 iso 1 dist 6.49416 8.94367 8.80819 6.23142 5.71679 4.57832 6.81259 12.5075 9.86662 9.94764 numMergedOcc 0
90 mol 134 unq 4 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 5.00526 9.5126 6.54501 7.69991 numMergedOcc 0
91 mol 134 unq 4 iso 1 dist 6.49416 6.37586 5.00817 6.23142 5.71679 5.29786 5.00526 6.54501 9.5126 7.69991 numMergedOcc 0
92 mol 134 unq 5 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 6.81259 9.71307 12.5075 9.94764 numMergedOcc 0
93 mol 134 unq 5 iso 1 dist 6.49416 6.37586 5.00817 6.23142 5.71679 5.29786 6.81259 12.5075 9.71307 9.94764 numMergedOcc 0
94 mol 134 unq 6 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 11.3271 11.9139 9.5126 7.69991 numMergedOcc 0
95 mol 134 unq 6 iso 1 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 11.3271 9.5126 11.9139 7.69991 numMergedOcc 0
96 mol 134 unq 7 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 6.81259 8.94367 6.37586 6.23142 numMergedOcc 0
97 mol 134 unq 7 iso 1 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 6.81259 6.37586 8.94367 6.23142 numMergedOcc 0
98 mol 156 unq 0 iso 0 dist 7.66148 8.94056 10.1658 7.90267 6.03934 5.4555 5.56175 12.0598 7.44554 9.44367 numMergedOcc 0
99 mol 156 unq 0 iso 1 dist 8.94056 7.66148 10.1658 7.90267 5.4555 6.03934 5.56175 7.44554 12.0598 9.44367 numMergedOcc 0
100 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 6.2479 6.6251 7.81713 6.01247 9.94371 10.9639 6.22122 numMergedOcc 0
101 mol 181 unq 0 iso 1 dist 8.03334 9.1374 13.2049 6.2479 7.81713 6.6251 6.01247 10.9639 9.94371 6.22122 numMergedOcc 0
102 mol 181 unq 1 iso 0 dist 9.1374 8.03334 13.2049 6.2479 6.6251 7.81713 8.88798 5.98885 10.7062 7.99195 numMergedOcc 0
103 mol 181 unq 1 iso 1 dist 8.03334 9.1374 13.2049 6.2479 7.81713 6.6251 8.88798 10.7062 5.98885 7.99195 numMergedOcc 0
104 mol 181 unq 2 iso 0 dist 5.98885 9.09537 10.1912 7.99195 6.6251 10.09 8.88798 9.1374 15.0228 6.2479 numMergedOcc 0
105 mol 181 unq 2 iso 1 dist 9.09537 5.98885 10.1912 7.99195 10.09 6.6251 8.88798 15.0228 9.1374 6.2479 numMergedOcc 0
106 mol 181 unq 3 iso 0 dist 5.98885 9.09537 10.1912 7.99195 6.6251 10.09 12.6324 9.94371 16.2058 6.22122 numMergedOcc 0
107 mol 181 unq 3 iso 1 dist 9.09537 5.98885 10.1912 7.99195 10.09 6.6251 12.6324 16.2058 9.94371 6.22122 numMergedOcc 0
108 mol 206 unq 0 iso 0 dist 8.02137 9.774 10.4 7.75885 12.7604 6.45859 5.63422 11.1804 7.7366 6.16414 numMergedOcc 0
109 mol 206 unq 0 iso 1 dist 9.774 8.02137 10.4 7.75885 6.45859 12.7604 5.63422 7.7366 11.1804 6.16414 numMergedOcc 0
110 mol 227 unq 0 iso 0 dist 9.34734 7.22101 6.99063 7.43071 6.00424 6.35849 4.39704 10.4905 7.09863 6.02296 numMergedOcc 0
111 mol 227 unq 0 iso 1 dist 7.22101 9.34734 6.99063 7.43071 6.35849 6.00424 4.39704 7.09863 10.4905 6.02296 numMergedOcc 0
112 mol 227 unq 1 iso 0 dist 9.34734 8.65997 7.60506 7.43071 6.00424 10.204 4.39704 10.4905 10.8157 6.02296 numMergedOcc 0
113 mol 227 unq 1 iso 1 dist 8.65997 9.34734 7.60506 7.43071 10.204 6.00424 4.39704 10.8157 10.4905 6.02296 numMergedOcc 0
114 mol 227 unq 2 iso 0 dist 9.34734 7.56888 7.43198 7.43071 6.00424 9.76735 4.39704 10.4905 11.0431 6.02296 numMergedOcc 0
115 mol 227 unq 2 iso 1 dist 7.56888 9.34734 7.43198 7.43071 9.76735 6.00424 4.39704 11.0431 10.4905 6.02296 numMergedOcc 0
116 mol 227 unq 3 iso 0 dist 9.34734 7.55216 9.51866 7.43071 6.00424 9.32448 4.39704 10.4905 10.0334 6.02296 numMergedOcc 0
117 mol 227 unq 3 iso 1 dist 7.55216 9.34734 9.51866 7.43071 9.32448 6.00424 4.39704 10.0334 10.4905 6.02296 numMergedOcc 0
118 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 7.43071 6.35849 10.204 4.39704 7.09863 10.8157 6.02296 numMergedOcc 0
119 mol 227 unq 1 iso 1 dist 8.65997 7.22101 5.22356 7.43071 10.204 6.35849 4.39704 10.8157 7.09863 6.02296 numMergedOcc 0
120 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 7.43071 6.35849 9.76735 4.39704 7.09863 11.0431 6.02296 numMergedOcc 0
121 mol 227 unq 2 iso 1 dist 7.56888 7.22101 10.8658 7.43071 9.76735 6.35849 4.39704 11.0431 7.09863 6.02296 numMergedOcc 0
122 mol 227 unq 3 iso 0 dist 7.22101 7.55216 12.4689 7.43071 6.35849 9.32448 4.39704 7.09863 10.0334 6.02296 numMergedOcc 0
123 mol 227 unq 3 iso 1 dist 7.55216 7.22101 12.4689 7.43071 9.32448 6.35849 4.39704 10.0334 7.09863 6.02296 numMergedOcc 0
124 mol 227 unq 2 iso 0 dist 8.65997 7.56888 9.70012 7.43071 10.204 9.76735 4.39704 10.8157 11.0431 6.02296 numMergedOcc 0
125 mol 227 unq 2 iso 1 dist 7.56888 8.65997 9.70012 7.43071 9.76735 10.204 4.39704 11.0431 10.8157 6.02296 numMergedOcc 0
126 mol 227 unq 3 iso 0 dist 8.65997 7.55216 12.9332 7.43071 10.204 9.32448 4.39704 10.8157 10.0334 6.02296 numMergedOcc 0
127 mol 227 unq 3 iso 1 dist 7.55216 8.65997 12.9332 7.43071 9.32448 10.204 4.39704 10.0334 10.8157 6.02296 numMergedOcc 0
128 mol 227 unq 3 iso 0 dist 7.56888 7.55216 4.48529 7.43071 9.76735 9.32448 4.39704 11.0431 10.0334 6.02296 numMergedOcc 0
129 mol 227 unq 3 iso 1 dist 7.55216 7.56888 4.48529 7.43071 9.32448 9.76735 4.39704 10.0334 11.0431 6.02296 numMergedOcc 0
130 mol 249 unq 0 iso 0 dist 7.57994 6.18582 5.01979 5.48118 10.7772 7.04666 5.3927 12.8752 11.2388 7.25858 numMergedOcc 0
131 mol 249 unq 0 iso 1 dist 6.18582 7.57994 5.01979 5.48118 7.04666 10.7772 5.3927 11.2388 12.8752 7.25858 numMergedOcc 0
132 mol 259 unq 0 iso 0 dist 8.13497 7.88519 4.69778 7.98231 8.41846 8.81835 6.96053 10.3935 7.46176 7.08526 numMergedOcc 0
133 mol 259 unq 0 iso 1 dist 7.88519 8.13497 4.69778 7.98231 8.81835 8.41846 6.96053 7.46176 10.3935 7.08526 numMergedOcc 0
