0 mol 7 unq 0 iso 0 dist 9.60499 6.02702 8.43473 11.8172 11.0773 8.72114 18.3807 15.4949 13.8829 7.10621 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.10621 8.72114 13.8829 11.8172 18.3807 6.02702 11.0773 15.4949 8.43473 9.60499 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.60499 6.7985 6.55304 9.0379 10.6581 9.68596 16.7601 15.8875 14.7759 8.41585 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 8.41585 9.68596 14.7759 9.0379 16.7601 6.7985 10.6581 15.8875 6.55304 9.60499 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 4.7319 6.72833 6.51133 10.4852 11.6856 6.93532 11.0958 10.2656 5.30082 5.05803 numMergedOcc 0
5 mol 16 unq 0 iso 1 dist 5.05803 6.93532 5.30082 10.4852 11.0958 6.72833 11.6856 10.2656 6.51133 4.7319 numMergedOcc 0
6 mol 16 unq 1 iso 0 dist 4.7319 6.72833 6.51133 10.4852 11.6856 6.93532 15.8605 16.4761 10.4366 6.31718 numMergedOcc 0
7 mol 16 unq 1 iso 1 dist 6.31718 6.93532 10.4366 10.4852 15.8605 6.72833 11.6856 16.4761 6.51133 4.7319 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 7.20519 7.75618 4.96411 7.67038 10.4091 8.40416 4.54938 7.34551 9.74255 8.4674 numMergedOcc 0
9 mol 19 unq 0 iso 1 dist 8.4674 8.40416 9.74255 7.67038 4.54938 7.75618 10.4091 7.34551 4.96411 7.20519 numMergedOcc 0
10 mol 19 unq 1 iso 0 dist 7.20519 7.75618 4.96411 7.67038 10.4091 8.40416 6.864 7.07775 7.08342 4.51865 numMergedOcc 0
11 mol 19 unq 1 iso 1 dist 4.51865 8.40416 7.08342 7.67038 6.864 7.75618 10.4091 7.07775 4.96411 7.20519 numMergedOcc 0
12 mol 19 unq 1 iso 0 dist 8.4674 8.40416 9.74255 7.67038 4.54938 7.75618 4.51865 5.80928 7.08342 6.864 numMergedOcc 0
13 mol 19 unq 1 iso 1 dist 6.864 7.75618 7.08342 7.67038 4.51865 8.40416 4.54938 5.80928 9.74255 8.4674 numMergedOcc 0
14 mol 19 unq 2 iso 0 dist 8.4674 6.41575 4.64838 5.80928 4.51865 6.41423 4.54938 7.67038 4.97119 6.864 numMergedOcc 0
15 mol 19 unq 2 iso 1 dist 6.864 6.41423 4.97119 5.80928 4.54938 6.41575 4.51865 7.67038 4.64838 8.4674 numMergedOcc 0
16 mol 19 unq 3 iso 0 dist 4.54938 7.75618 9.74255 7.67038 8.4674 8.40416 6.864 5.80928 7.08342 4.51865 numMergedOcc 0
17 mol 19 unq 3 iso 1 dist 4.51865 8.40416 7.08342 7.67038 6.864 7.75618 8.4674 5.80928 9.74255 4.54938 numMergedOcc 0
18 mol 19 unq 4 iso 0 dist 4.54938 6.41575 4.97119 5.80928 6.864 6.41423 8.4674 7.67038 4.64838 4.51865 numMergedOcc 0
19 mol 19 unq 4 iso 1 dist 4.51865 6.41423 4.64838 5.80928 8.4674 6.41575 6.864 7.67038 4.97119 4.54938 numMergedOcc 0
20 mol 19 unq 5 iso 0 dist 7.82074 6.41575 6.01808 5.80928 11.0366 6.41423 8.4674 10.3915 4.64838 4.51865 numMergedOcc 0
21 mol 19 unq 5 iso 1 dist 4.51865 6.41423 4.64838 5.80928 8.4674 6.41575 11.0366 10.3915 6.01808 7.82074 numMergedOcc 0
22 mol 19 unq 6 iso 0 dist 7.82074 6.41575 6.01808 5.80928 11.0366 6.41423 4.54938 5.03957 4.97119 6.864 numMergedOcc 0
23 mol 19 unq 6 iso 1 dist 6.864 6.41423 4.97119 5.80928 4.54938 6.41575 11.0366 5.03957 6.01808 7.82074 numMergedOcc 0
24 mol 24 unq 0 iso 0 dist 6.86014 7.29868 8.52463 15.5315 15.5324 8.4051 11.0194 11.4989 5.11617 5.54419 numMergedOcc 0
25 mol 24 unq 0 iso 1 dist 5.54419 8.4051 5.11617 15.5315 11.0194 7.29868 15.5324 11.4989 8.52463 6.86014 numMergedOcc 0
26 mol 24 unq 1 iso 0 dist 6.86014 7.29868 8.52463 15.5315 15.5324 8.4051 20.3888 19.2131 13.2229 7.36323 numMergedOcc 0
27 mol 24 unq 1 iso 1 dist 7.36323 8.4051 13.2229 15.5315 20.3888 7.29868 15.5324 19.2131 8.52463 6.86014 numMergedOcc 0
28 mol 24 unq 2 iso 0 dist 6.86014 7.29868 8.52463 10.0952 8.86116 8.60554 12.5077 6.44287 12.3994 8.38394 numMergedOcc 0
29 mol 24 unq 2 iso 1 dist 8.38394 8.60554 12.3994 10.0952 12.5077 7.29868 8.86116 6.44287 8.52463 6.86014 numMergedOcc 0
30 mol 24 unq 3 iso 0 dist 6.86014 9.41441 6.66749 11.4989 11.0194 6.73939 15.5324 15.5315 12.176 5.54419 numMergedOcc 0
31 mol 24 unq 3 iso 1 dist 5.54419 6.73939 12.176 11.4989 15.5324 9.41441 11.0194 15.5315 6.66749 6.86014 numMergedOcc 0
32 mol 24 unq 4 iso 0 dist 8.86116 8.60554 8.52463 14.6259 15.5324 8.4051 13.2433 11.4989 5.11617 5.54419 numMergedOcc 0
33 mol 24 unq 4 iso 1 dist 5.54419 8.4051 5.11617 14.6259 13.2433 8.60554 15.5324 11.4989 8.52463 8.86116 numMergedOcc 0
34 mol 24 unq 5 iso 0 dist 8.86116 8.60554 8.52463 14.6259 15.5324 8.4051 15.5296 19.2131 13.2229 7.36323 numMergedOcc 0
35 mol 24 unq 5 iso 1 dist 7.36323 8.4051 13.2229 14.6259 15.5296 8.60554 15.5324 19.2131 8.52463 8.86116 numMergedOcc 0
36 mol 24 unq 6 iso 0 dist 8.86116 9.44691 13.4893 14.6259 15.5324 8.75662 13.2433 11.4989 10.8238 5.54419 numMergedOcc 0
37 mol 24 unq 6 iso 1 dist 5.54419 8.75662 10.8238 14.6259 13.2433 9.44691 15.5324 11.4989 13.4893 8.86116 numMergedOcc 0
38 mol 24 unq 7 iso 0 dist 8.86116 9.44691 13.4893 14.6259 15.5324 8.75662 15.5296 19.2131 6.7828 7.36323 numMergedOcc 0
39 mol 24 unq 7 iso 1 dist 7.36323 8.75662 6.7828 14.6259 15.5296 9.44691 15.5324 19.2131 13.4893 8.86116 numMergedOcc 0
40 mol 24 unq 8 iso 0 dist 8.86116 9.41441 14.012 11.4989 13.2433 6.73939 15.5324 14.6259 12.176 5.54419 numMergedOcc 0
41 mol 24 unq 8 iso 1 dist 5.54419 6.73939 12.176 11.4989 15.5324 9.41441 13.2433 14.6259 14.012 8.86116 numMergedOcc 0
42 mol 24 unq 9 iso 0 dist 8.38394 8.60554 12.3994 14.6259 17.8264 8.4051 13.2433 15.4364 5.11617 5.54419 numMergedOcc 0
43 mol 24 unq 9 iso 1 dist 5.54419 8.4051 5.11617 14.6259 13.2433 8.60554 17.8264 15.4364 12.3994 8.38394 numMergedOcc 0
44 mol 24 unq 10 iso 0 dist 8.38394 8.60554 12.3994 14.6259 17.8264 8.4051 15.5296 19.1123 13.2229 7.36323 numMergedOcc 0
45 mol 24 unq 10 iso 1 dist 7.36323 8.4051 13.2229 14.6259 15.5296 8.60554 17.8264 19.1123 12.3994 8.38394 numMergedOcc 0
46 mol 24 unq 3 iso 0 dist 8.38394 9.44691 12.505 14.6259 17.8264 8.75662 13.2433 15.4364 10.8238 5.54419 numMergedOcc 0
47 mol 24 unq 3 iso 1 dist 5.54419 8.75662 10.8238 14.6259 13.2433 9.44691 17.8264 15.4364 12.505 8.38394 numMergedOcc 0
48 mol 24 unq 4 iso 0 dist 8.38394 9.44691 12.505 14.6259 17.8264 8.75662 15.5296 19.1123 6.7828 7.36323 numMergedOcc 0
49 mol 24 unq 4 iso 1 dist 7.36323 8.75662 6.7828 14.6259 15.5296 9.44691 17.8264 19.1123 12.505 8.38394 numMergedOcc 0
50 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 10.9391 11.9561 6.16347 12.7009 15.5644 9.34396 7.57578 numMergedOcc 0
51 mol 25 unq 0 iso 1 dist 7.57578 6.16347 9.34396 10.9391 12.7009 7.45383 11.9561 15.5644 7.33728 5.04899 numMergedOcc 0
52 mol 25 unq 1 iso 0 dist 5.04899 7.45383 7.33728 10.9391 11.9561 6.16347 12.8117 16.1048 10.8498 7.17969 numMergedOcc 0
53 mol 25 unq 1 iso 1 dist 7.17969 6.16347 10.8498 10.9391 12.8117 7.45383 11.9561 16.1048 7.33728 5.04899 numMergedOcc 0
54 mol 25 unq 2 iso 0 dist 5.04899 8.87757 5.77929 15.5644 12.7009 8.50222 11.9561 10.9391 6.08585 7.57578 numMergedOcc 0
55 mol 25 unq 2 iso 1 dist 7.57578 8.50222 6.08585 15.5644 11.9561 8.87757 12.7009 10.9391 5.77929 5.04899 numMergedOcc 0
56 mol 25 unq 3 iso 0 dist 5.04899 8.87757 5.77929 16.1048 12.8117 7.55264 11.9561 10.9391 6.08585 7.17969 numMergedOcc 0
57 mol 25 unq 3 iso 1 dist 7.17969 7.55264 6.08585 16.1048 11.9561 8.87757 12.8117 10.9391 5.77929 5.04899 numMergedOcc 0
58 mol 25 unq 1 iso 0 dist 7.57578 7.92503 6.11127 10.6808 13.7311 8.6653 12.4135 10.8603 5.64303 7.31767 numMergedOcc 0
59 mol 25 unq 1 iso 1 dist 7.31767 8.6653 5.64303 10.6808 12.4135 7.92503 13.7311 10.8603 6.11127 7.57578 numMergedOcc 0
60 mol 25 unq 2 iso 0 dist 7.57578 7.92503 6.11127 10.6808 13.7311 8.6653 11.6743 11.9355 5.82503 6.03987 numMergedOcc 0
61 mol 25 unq 2 iso 1 dist 6.03987 8.6653 5.82503 10.6808 11.6743 7.92503 13.7311 11.9355 6.11127 7.57578 numMergedOcc 0
62 mol 25 unq 2 iso 0 dist 7.17969 7.92503 5.30154 10.6808 12.9968 8.6653 12.4135 10.8648 5.64303 7.31767 numMergedOcc 0
63 mol 25 unq 2 iso 1 dist 7.31767 8.6653 5.64303 10.6808 12.4135 7.92503 12.9968 10.8648 5.30154 7.17969 numMergedOcc 0
64 mol 25 unq 3 iso 0 dist 7.17969 7.92503 5.30154 10.6808 12.9968 8.6653 11.6743 10.2779 5.82503 6.03987 numMergedOcc 0
65 mol 25 unq 3 iso 1 dist 6.03987 8.6653 5.82503 10.6808 11.6743 7.92503 12.9968 10.2779 5.30154 7.17969 numMergedOcc 0
66 mol 85 unq 0 iso 0 dist 7.95579 7.54568 10.2865 10.1164 15.309 9.39864 7.66905 10.7229 4.65335 5.73196 numMergedOcc 0
67 mol 85 unq 0 iso 1 dist 5.73196 9.39864 4.65335 10.1164 7.66905 7.54568 15.309 10.7229 10.2865 7.95579 numMergedOcc 0
68 mol 85 unq 1 iso 0 dist 6.19965 7.54568 8.09967 10.1164 11.2656 9.39864 7.66905 6.9948 4.65335 5.73196 numMergedOcc 0
69 mol 85 unq 1 iso 1 dist 5.73196 9.39864 4.65335 10.1164 7.66905 7.54568 11.2656 6.9948 8.09967 6.19965 numMergedOcc 0
70 mol 100 unq 0 iso 0 dist 8.87449 7.80975 7.97897 10.8586 10.9461 7.10378 10.1489 8.98304 10.6848 7.17106 numMergedOcc 0
71 mol 100 unq 0 iso 1 dist 7.17106 7.10378 10.6848 10.8586 10.1489 7.80975 10.9461 8.98304 7.97897 8.87449 numMergedOcc 0
72 mol 100 unq 1 iso 0 dist 9.60661 7.01812 5.80144 5.88134 6.65086 8.30845 12.0662 8.8807 12.2861 7.47343 numMergedOcc 0
73 mol 100 unq 1 iso 1 dist 7.47343 8.30845 12.2861 5.88134 12.0662 7.01812 6.65086 8.8807 5.80144 9.60661 numMergedOcc 0
74 mol 100 unq 2 iso 0 dist 9.60661 7.01812 5.80144 5.88134 6.65086 8.30845 9.35224 7.80879 10.0456 6.56369 numMergedOcc 0
75 mol 100 unq 2 iso 1 dist 6.56369 8.30845 10.0456 5.88134 9.35224 7.01812 6.65086 7.80879 5.80144 9.60661 numMergedOcc 0
76 mol 100 unq 3 iso 0 dist 9.60661 7.01812 5.80144 5.88134 6.65086 8.30845 10.5853 5.38414 6.70236 9.30209 numMergedOcc 0
77 mol 100 unq 3 iso 1 dist 9.30209 8.30845 6.70236 5.88134 10.5853 7.01812 6.65086 5.38414 5.80144 9.60661 numMergedOcc 0
78 mol 100 unq 1 iso 0 dist 7.17106 7.01812 8.4128 5.88134 10.5134 8.30845 12.0662 17.5254 12.2861 7.47343 numMergedOcc 0
79 mol 100 unq 1 iso 1 dist 7.47343 8.30845 12.2861 5.88134 12.0662 7.01812 10.5134 17.5254 8.4128 7.17106 numMergedOcc 0
80 mol 100 unq 2 iso 0 dist 7.17106 7.01812 8.4128 5.88134 10.5134 8.30845 9.60661 11.5403 5.80144 6.65086 numMergedOcc 0
81 mol 100 unq 2 iso 1 dist 6.65086 8.30845 5.80144 5.88134 9.60661 7.01812 10.5134 11.5403 8.4128 7.17106 numMergedOcc 0
82 mol 100 unq 3 iso 0 dist 7.17106 7.01812 8.4128 5.88134 10.5134 8.30845 9.35224 8.87654 10.0456 6.56369 numMergedOcc 0
83 mol 100 unq 3 iso 1 dist 6.56369 8.30845 10.0456 5.88134 9.35224 7.01812 10.5134 8.87654 8.4128 7.17106 numMergedOcc 0
84 mol 100 unq 4 iso 0 dist 7.17106 7.01812 8.4128 5.88134 10.5134 8.30845 10.5853 8.7812 6.70236 9.30209 numMergedOcc 0
85 mol 100 unq 4 iso 1 dist 9.30209 8.30845 6.70236 5.88134 10.5853 7.01812 10.5134 8.7812 8.4128 7.17106 numMergedOcc 0
86 mol 100 unq 5 iso 0 dist 9.35224 7.01812 10.0456 5.88134 6.56369 8.30845 12.0662 12.6515 12.2861 7.47343 numMergedOcc 0
87 mol 100 unq 5 iso 1 dist 7.47343 8.30845 12.2861 5.88134 12.0662 7.01812 6.56369 12.6515 10.0456 9.35224 numMergedOcc 0
88 mol 100 unq 6 iso 0 dist 9.35224 7.01812 10.0456 5.88134 6.56369 8.30845 9.60661 7.80879 5.80144 6.65086 numMergedOcc 0
89 mol 100 unq 6 iso 1 dist 6.65086 8.30845 5.80144 5.88134 9.60661 7.01812 6.56369 7.80879 10.0456 9.35224 numMergedOcc 0
90 mol 100 unq 7 iso 0 dist 9.35224 7.01812 10.0456 5.88134 6.56369 8.30845 10.5853 6.39938 6.70236 9.30209 numMergedOcc 0
91 mol 100 unq 7 iso 1 dist 9.30209 8.30845 6.70236 5.88134 10.5853 7.01812 6.56369 6.39938 10.0456 9.35224 numMergedOcc 0
92 mol 115 unq 0 iso 0 dist 5.11551 6.92026 6.77806 6.5838 7.11972 5.88249 11.4095 10.498 5.31484 6.90986 numMergedOcc 0
93 mol 115 unq 0 iso 1 dist 6.90986 5.88249 5.31484 6.5838 11.4095 6.92026 7.11972 10.498 6.77806 5.11551 numMergedOcc 0
94 mol 115 unq 1 iso 0 dist 5.11551 6.92026 6.77806 10.5564 11.8863 6.97707 11.4095 10.498 5.31484 5.39945 numMergedOcc 0
95 mol 115 unq 1 iso 1 dist 5.39945 6.97707 5.31484 10.5564 11.4095 6.92026 11.8863 10.498 6.77806 5.11551 numMergedOcc 0
96 mol 115 unq 2 iso 0 dist 7.11972 5.88249 6.77806 5.67807 11.8863 6.97707 6.90986 10.498 5.31484 5.39945 numMergedOcc 0
97 mol 115 unq 2 iso 1 dist 5.39945 6.97707 5.31484 5.67807 6.90986 5.88249 11.8863 10.498 6.77806 7.11972 numMergedOcc 0
98 mol 119 unq 0 iso 0 dist 8.73993 6.52773 7.20179 4.85907 10.3704 9.11344 12.6489 12.4603 10.9441 9.87172 numMergedOcc 0
99 mol 119 unq 0 iso 1 dist 9.87172 9.11344 10.9441 4.85907 12.6489 6.52773 10.3704 12.4603 7.20179 8.73993 numMergedOcc 0
100 mol 133 unq 0 iso 0 dist 6.5107 6.66772 7.12976 6.69554 9.66421 9.97654 9.52634 9.56949 4.34568 9.91388 numMergedOcc 0
101 mol 133 unq 0 iso 1 dist 9.91388 9.97654 4.34568 6.69554 9.52634 6.66772 9.66421 9.56949 7.12976 6.5107 numMergedOcc 0
102 mol 133 unq 1 iso 0 dist 6.5107 6.66772 7.12976 7.6656 12.0352 7.71248 9.52634 9.56949 4.34568 7.24514 numMergedOcc 0
103 mol 133 unq 1 iso 1 dist 7.24514 7.71248 4.34568 7.6656 9.52634 6.66772 12.0352 9.56949 7.12976 6.5107 numMergedOcc 0
104 mol 133 unq 2 iso 0 dist 6.5107 6.66772 7.12976 7.6656 12.0352 7.71248 13.4163 14.2075 10.6025 8.22656 numMergedOcc 0
105 mol 133 unq 2 iso 1 dist 8.22656 7.71248 10.6025 7.6656 13.4163 6.66772 12.0352 14.2075 7.12976 6.5107 numMergedOcc 0
106 mol 133 unq 1 iso 0 dist 9.91388 9.97654 4.34568 6.761 7.24514 7.71248 10.0372 6.65743 10.6025 8.22656 numMergedOcc 0
107 mol 133 unq 1 iso 1 dist 8.22656 7.71248 10.6025 6.761 10.0372 9.97654 7.24514 6.65743 4.34568 9.91388 numMergedOcc 0
108 mol 133 unq 2 iso 0 dist 9.52634 6.66772 4.34568 7.6656 7.24514 7.71248 13.4163 6.65743 10.6025 8.22656 numMergedOcc 0
109 mol 133 unq 2 iso 1 dist 8.22656 7.71248 10.6025 7.6656 13.4163 6.66772 7.24514 6.65743 4.34568 9.52634 numMergedOcc 0
110 mol 134 unq 0 iso 0 dist 9.89303 5.83771 7.41674 5.79898 6.54501 7.80532 9.93925 5.00526 9.87376 6.49416 numMergedOcc 0
111 mol 134 unq 0 iso 1 dist 6.49416 7.80532 9.87376 5.79898 9.93925 5.83771 6.54501 5.00526 7.41674 9.89303 numMergedOcc 0
112 mol 134 unq 1 iso 0 dist 9.89303 7.69991 4.60632 5.00526 9.93925 6.23142 11.9139 6.86927 4.57832 8.94367 numMergedOcc 0
113 mol 134 unq 1 iso 1 dist 8.94367 6.23142 4.57832 5.00526 11.9139 7.69991 9.93925 6.86927 4.60632 9.89303 numMergedOcc 0
114 mol 134 unq 2 iso 0 dist 9.89303 7.69991 4.60632 5.00526 9.93925 6.23142 9.5126 7.11631 5.29786 6.37586 numMergedOcc 0
115 mol 134 unq 2 iso 1 dist 6.37586 6.23142 5.29786 5.00526 9.5126 7.69991 9.93925 7.11631 4.60632 9.89303 numMergedOcc 0
116 mol 134 unq 3 iso 0 dist 9.89303 7.69991 4.60632 5.00526 9.93925 6.23142 6.54501 5.79898 5.71679 6.49416 numMergedOcc 0
117 mol 134 unq 3 iso 1 dist 6.49416 6.23142 5.71679 5.00526 6.54501 7.69991 9.93925 5.79898 4.60632 9.89303 numMergedOcc 0
118 mol 134 unq 4 iso 0 dist 9.89303 7.69991 4.60632 11.3271 14.423 9.94764 11.9139 6.86927 4.57832 9.86662 numMergedOcc 0
119 mol 134 unq 4 iso 1 dist 9.86662 9.94764 4.57832 11.3271 11.9139 7.69991 14.423 6.86927 4.60632 9.89303 numMergedOcc 0
120 mol 134 unq 5 iso 0 dist 9.89303 7.69991 4.60632 11.3271 14.423 9.94764 9.5126 7.11631 5.29786 9.71307 numMergedOcc 0
121 mol 134 unq 5 iso 1 dist 9.71307 9.94764 5.29786 11.3271 9.5126 7.69991 14.423 7.11631 4.60632 9.89303 numMergedOcc 0
122 mol 134 unq 6 iso 0 dist 6.54501 7.69991 5.71679 5.00526 6.49416 6.23142 11.9139 8.80819 4.57832 8.94367 numMergedOcc 0
123 mol 134 unq 6 iso 1 dist 8.94367 6.23142 4.57832 5.00526 11.9139 7.69991 6.49416 8.80819 5.71679 6.54501 numMergedOcc 0
124 mol 134 unq 7 iso 0 dist 6.54501 7.69991 5.71679 5.00526 6.49416 6.23142 9.5126 5.00817 5.29786 6.37586 numMergedOcc 0
125 mol 134 unq 7 iso 1 dist 6.37586 6.23142 5.29786 5.00526 9.5126 7.69991 6.49416 5.00817 5.71679 6.54501 numMergedOcc 0
126 mol 134 unq 8 iso 0 dist 6.54501 7.69991 5.71679 11.3271 12.5075 9.94764 11.9139 8.80819 4.57832 9.86662 numMergedOcc 0
127 mol 134 unq 8 iso 1 dist 9.86662 9.94764 4.57832 11.3271 11.9139 7.69991 12.5075 8.80819 5.71679 6.54501 numMergedOcc 0
128 mol 134 unq 9 iso 0 dist 6.54501 7.69991 5.71679 11.3271 12.5075 9.94764 9.5126 5.00817 5.29786 9.71307 numMergedOcc 0
129 mol 134 unq 9 iso 1 dist 9.71307 9.94764 5.29786 11.3271 9.5126 7.69991 12.5075 5.00817 5.71679 6.54501 numMergedOcc 0
130 mol 134 unq 7 iso 0 dist 8.94367 6.23142 4.57832 6.81259 9.86662 9.94764 6.37586 5.49782 5.29786 9.71307 numMergedOcc 0
131 mol 134 unq 7 iso 1 dist 9.71307 9.94764 5.29786 6.81259 6.37586 6.23142 9.86662 5.49782 4.57832 8.94367 numMergedOcc 0
132 mol 134 unq 8 iso 0 dist 6.37586 6.23142 5.29786 6.81259 9.71307 9.94764 8.94367 5.49782 4.57832 9.86662 numMergedOcc 0
133 mol 134 unq 8 iso 1 dist 9.86662 9.94764 4.57832 6.81259 8.94367 6.23142 9.71307 5.49782 5.29786 6.37586 numMergedOcc 0
134 mol 134 unq 4 iso 0 dist 6.49416 6.23142 5.71679 6.81259 12.5075 9.94764 8.94367 8.80819 4.57832 9.86662 numMergedOcc 0
135 mol 134 unq 4 iso 1 dist 9.86662 9.94764 4.57832 6.81259 8.94367 6.23142 12.5075 8.80819 5.71679 6.49416 numMergedOcc 0
136 mol 134 unq 5 iso 0 dist 6.49416 6.23142 5.71679 6.81259 12.5075 9.94764 6.37586 5.00817 5.29786 9.71307 numMergedOcc 0
137 mol 134 unq 5 iso 1 dist 9.71307 9.94764 5.29786 6.81259 6.37586 6.23142 12.5075 5.00817 5.71679 6.49416 numMergedOcc 0
138 mol 156 unq 0 iso 0 dist 7.44554 9.44367 5.4555 5.56175 8.94056 7.90267 12.0598 10.1658 6.03934 7.66148 numMergedOcc 0
139 mol 156 unq 0 iso 1 dist 7.66148 7.90267 6.03934 5.56175 12.0598 9.44367 8.94056 10.1658 5.4555 7.44554 numMergedOcc 0
140 mol 181 unq 0 iso 0 dist 9.1374 6.2479 6.6251 8.88798 5.98885 7.99195 15.0228 10.1912 10.09 9.09537 numMergedOcc 0
141 mol 181 unq 0 iso 1 dist 9.09537 7.99195 10.09 8.88798 15.0228 6.2479 5.98885 10.1912 6.6251 9.1374 numMergedOcc 0
142 mol 181 unq 1 iso 0 dist 8.03334 6.2479 7.81713 8.88798 10.7062 7.99195 9.1374 13.2049 6.6251 5.98885 numMergedOcc 0
143 mol 181 unq 1 iso 1 dist 5.98885 7.99195 6.6251 8.88798 9.1374 6.2479 10.7062 13.2049 7.81713 8.03334 numMergedOcc 0
144 mol 181 unq 2 iso 0 dist 8.03334 6.2479 7.81713 8.88798 10.7062 7.99195 15.0228 12.8522 10.09 9.09537 numMergedOcc 0
145 mol 181 unq 2 iso 1 dist 9.09537 7.99195 10.09 8.88798 15.0228 6.2479 10.7062 12.8522 7.81713 8.03334 numMergedOcc 0
146 mol 206 unq 0 iso 0 dist 8.02137 7.75885 12.7604 5.63422 11.1804 6.16414 9.774 10.4 6.45859 7.7366 numMergedOcc 0
147 mol 206 unq 0 iso 1 dist 7.7366 6.16414 6.45859 5.63422 9.774 7.75885 11.1804 10.4 12.7604 8.02137 numMergedOcc 0
148 mol 227 unq 0 iso 0 dist 9.34734 7.43071 6.00424 4.39704 10.4905 6.02296 7.22101 6.99063 6.35849 7.09863 numMergedOcc 0
149 mol 227 unq 0 iso 1 dist 7.09863 6.02296 6.35849 4.39704 7.22101 7.43071 10.4905 6.99063 6.00424 9.34734 numMergedOcc 0
150 mol 227 unq 1 iso 0 dist 8.65997 7.43071 10.204 4.39704 10.8157 6.02296 7.22101 5.22356 6.35849 7.09863 numMergedOcc 0
151 mol 227 unq 1 iso 1 dist 7.09863 6.02296 6.35849 4.39704 7.22101 7.43071 10.8157 5.22356 10.204 8.65997 numMergedOcc 0
152 mol 227 unq 2 iso 0 dist 7.56888 7.43071 9.76735 4.39704 11.0431 6.02296 7.22101 10.8658 6.35849 7.09863 numMergedOcc 0
153 mol 227 unq 2 iso 1 dist 7.09863 6.02296 6.35849 4.39704 7.22101 7.43071 11.0431 10.8658 9.76735 7.56888 numMergedOcc 0
154 mol 227 unq 3 iso 0 dist 7.55216 7.43071 9.32448 4.39704 10.0334 6.02296 7.22101 12.4689 6.35849 7.09863 numMergedOcc 0
155 mol 227 unq 3 iso 1 dist 7.09863 6.02296 6.35849 4.39704 7.22101 7.43071 10.0334 12.4689 9.32448 7.55216 numMergedOcc 0
156 mol 259 unq 0 iso 0 dist 8.13497 7.98231 8.41846 6.96053 10.3935 7.08526 7.88519 4.69778 8.81835 7.46176 numMergedOcc 0
157 mol 259 unq 0 iso 1 dist 7.46176 7.08526 8.81835 6.96053 7.88519 7.98231 10.3935 4.69778 8.41846 8.13497 numMergedOcc 0
