0 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 11.6856 10.2656 16.4761 6.51133 4.7319 numMergedOcc 0
1 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 11.6856 16.4761 10.2656 6.51133 4.7319 numMergedOcc 0
2 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 6.864 7.07775 5.80928 7.08342 4.51865 numMergedOcc 0
3 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 6.864 5.80928 7.07775 7.08342 4.51865 numMergedOcc 0
4 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 4.54938 7.34551 5.80928 9.74255 8.4674 numMergedOcc 0
5 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 4.54938 5.80928 7.34551 9.74255 8.4674 numMergedOcc 0
6 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 10.4091 7.34551 7.07775 4.96411 7.20519 numMergedOcc 0
7 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 10.4091 7.07775 7.34551 4.96411 7.20519 numMergedOcc 0
8 mol 19 unq 3 iso 0 dist 8.4674 7.82074 10.3915 6.41575 4.64838 6.01808 5.80928 4.51865 11.0366 6.41423 4.54938 7.67038 5.03957 4.97119 6.864 numMergedOcc 0
9 mol 19 unq 3 iso 1 dist 7.82074 8.4674 10.3915 6.41575 6.01808 4.64838 5.80928 11.0366 4.51865 6.41423 4.54938 5.03957 7.67038 4.97119 6.864 numMergedOcc 0
10 mol 19 unq 1 iso 0 dist 4.54938 7.82074 5.03957 6.41575 4.97119 6.01808 5.80928 6.864 11.0366 6.41423 8.4674 7.67038 10.3915 4.64838 4.51865 numMergedOcc 0
11 mol 19 unq 1 iso 1 dist 7.82074 4.54938 5.03957 6.41575 6.01808 4.97119 5.80928 11.0366 6.864 6.41423 8.4674 10.3915 7.67038 4.64838 4.51865 numMergedOcc 0
12 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 11.0366 10.3915 5.03957 6.01808 7.82074 numMergedOcc 0
13 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 11.0366 5.03957 10.3915 6.01808 7.82074 numMergedOcc 0
14 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 15.5324 15.5315 14.6259 12.176 5.54419 numMergedOcc 0
15 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 15.5324 14.6259 15.5315 12.176 5.54419 numMergedOcc 0
16 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 13.2433 11.4989 15.4364 5.11617 5.54419 numMergedOcc 0
17 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 13.2433 15.4364 11.4989 5.11617 5.54419 numMergedOcc 0
18 mol 24 unq 2 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 14.6259 15.5324 17.8264 8.4051 15.5296 19.2131 19.1123 13.2229 7.36323 numMergedOcc 0
19 mol 24 unq 2 iso 1 dist 8.38394 8.86116 6.44287 8.60554 12.3994 8.52463 14.6259 17.8264 15.5324 8.4051 15.5296 19.1123 19.2131 13.2229 7.36323 numMergedOcc 0
20 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 13.2433 11.4989 15.4364 10.8238 5.54419 numMergedOcc 0
21 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 13.2433 15.4364 11.4989 10.8238 5.54419 numMergedOcc 0
22 mol 24 unq 4 iso 0 dist 8.86116 8.38394 6.44287 9.44691 13.4893 12.505 14.6259 15.5324 17.8264 8.75662 15.5296 19.2131 19.1123 6.7828 7.36323 numMergedOcc 0
23 mol 24 unq 4 iso 1 dist 8.38394 8.86116 6.44287 9.44691 12.505 13.4893 14.6259 17.8264 15.5324 8.75662 15.5296 19.1123 19.2131 6.7828 7.36323 numMergedOcc 0
24 mol 24 unq 5 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 15.5315 11.0194 20.3888 7.29868 15.5324 11.4989 19.2131 8.52463 6.86014 numMergedOcc 0
25 mol 24 unq 5 iso 1 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 15.5315 20.3888 11.0194 7.29868 15.5324 19.2131 11.4989 8.52463 6.86014 numMergedOcc 0
26 mol 24 unq 6 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 14.6259 13.2433 15.5296 8.60554 15.5324 11.4989 19.2131 8.52463 8.86116 numMergedOcc 0
27 mol 24 unq 6 iso 1 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 14.6259 15.5296 13.2433 8.60554 15.5324 19.2131 11.4989 8.52463 8.86116 numMergedOcc 0
28 mol 24 unq 7 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 14.6259 13.2433 15.5296 8.60554 17.8264 15.4364 19.1123 12.3994 8.38394 numMergedOcc 0
29 mol 24 unq 7 iso 1 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 14.6259 15.5296 13.2433 8.60554 17.8264 19.1123 15.4364 12.3994 8.38394 numMergedOcc 0
30 mol 24 unq 8 iso 0 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 14.6259 13.2433 15.5296 9.44691 15.5324 11.4989 19.2131 13.4893 8.86116 numMergedOcc 0
31 mol 24 unq 8 iso 1 dist 7.36323 5.54419 12.3067 8.75662 6.7828 10.8238 14.6259 15.5296 13.2433 9.44691 15.5324 19.2131 11.4989 13.4893 8.86116 numMergedOcc 0
32 mol 24 unq 9 iso 0 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 14.6259 13.2433 15.5296 9.44691 17.8264 15.4364 19.1123 12.505 8.38394 numMergedOcc 0
33 mol 24 unq 9 iso 1 dist 7.36323 5.54419 12.3067 8.75662 6.7828 10.8238 14.6259 15.5296 13.2433 9.44691 17.8264 19.1123 15.4364 12.505 8.38394 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 11.9561 15.5644 16.1048 7.33728 5.04899 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 11.9561 16.1048 15.5644 7.33728 5.04899 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 12.4135 10.8603 10.8648 5.64303 7.31767 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 12.4135 10.8648 10.8603 5.64303 7.31767 numMergedOcc 0
38 mol 25 unq 2 iso 0 dist 7.57578 7.17969 4.33106 7.92503 6.11127 5.30154 10.6808 13.7311 12.9968 8.6653 11.6743 11.9355 10.2779 5.82503 6.03987 numMergedOcc 0
39 mol 25 unq 2 iso 1 dist 7.17969 7.57578 4.33106 7.92503 5.30154 6.11127 10.6808 12.9968 13.7311 8.6653 11.6743 10.2779 11.9355 5.82503 6.03987 numMergedOcc 0
40 mol 25 unq 3 iso 0 dist 7.31767 6.03987 4.51512 8.6653 5.64303 5.82503 10.6808 12.4135 11.6743 7.92503 13.7311 10.8603 11.9355 6.11127 7.57578 numMergedOcc 0
41 mol 25 unq 3 iso 1 dist 6.03987 7.31767 4.51512 8.6653 5.82503 5.64303 10.6808 11.6743 12.4135 7.92503 13.7311 11.9355 10.8603 6.11127 7.57578 numMergedOcc 0
42 mol 25 unq 4 iso 0 dist 7.31767 6.03987 4.51512 8.6653 5.64303 5.82503 10.6808 12.4135 11.6743 7.92503 12.9968 10.8648 10.2779 5.30154 7.17969 numMergedOcc 0
43 mol 25 unq 4 iso 1 dist 6.03987 7.31767 4.51512 8.6653 5.82503 5.64303 10.6808 11.6743 12.4135 7.92503 12.9968 10.2779 10.8648 5.30154 7.17969 numMergedOcc 0
44 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 7.66905 10.7229 6.9948 4.65335 5.73196 numMergedOcc 0
45 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 7.66905 6.9948 10.7229 4.65335 5.73196 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 12.0662 8.8807 17.5254 12.2861 7.47343 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 12.0662 17.5254 8.8807 12.2861 7.47343 numMergedOcc 0
48 mol 100 unq 1 iso 0 dist 9.60661 7.17106 11.5403 7.01812 5.80144 8.4128 5.88134 6.65086 10.5134 8.30845 9.35224 7.80879 8.87654 10.0456 6.56369 numMergedOcc 0
49 mol 100 unq 1 iso 1 dist 7.17106 9.60661 11.5403 7.01812 8.4128 5.80144 5.88134 10.5134 6.65086 8.30845 9.35224 8.87654 7.80879 10.0456 6.56369 numMergedOcc 0
50 mol 100 unq 2 iso 0 dist 9.60661 7.17106 11.5403 7.01812 5.80144 8.4128 5.88134 6.65086 10.5134 8.30845 10.5853 5.38414 8.7812 6.70236 9.30209 numMergedOcc 0
51 mol 100 unq 2 iso 1 dist 7.17106 9.60661 11.5403 7.01812 8.4128 5.80144 5.88134 10.5134 6.65086 8.30845 10.5853 8.7812 5.38414 6.70236 9.30209 numMergedOcc 0
52 mol 100 unq 3 iso 0 dist 9.60661 9.35224 7.80879 7.01812 5.80144 10.0456 5.88134 6.65086 6.56369 8.30845 12.0662 8.8807 12.6515 12.2861 7.47343 numMergedOcc 0
53 mol 100 unq 3 iso 1 dist 9.35224 9.60661 7.80879 7.01812 10.0456 5.80144 5.88134 6.56369 6.65086 8.30845 12.0662 12.6515 8.8807 12.2861 7.47343 numMergedOcc 0
54 mol 100 unq 4 iso 0 dist 9.60661 9.35224 7.80879 7.01812 5.80144 10.0456 5.88134 6.65086 6.56369 8.30845 10.5853 5.38414 6.39938 6.70236 9.30209 numMergedOcc 0
55 mol 100 unq 4 iso 1 dist 9.35224 9.60661 7.80879 7.01812 10.0456 5.80144 5.88134 6.56369 6.65086 8.30845 10.5853 6.39938 5.38414 6.70236 9.30209 numMergedOcc 0
56 mol 100 unq 3 iso 0 dist 7.17106 9.35224 8.87654 7.01812 8.4128 10.0456 5.88134 10.5134 6.56369 8.30845 12.0662 17.5254 12.6515 12.2861 7.47343 numMergedOcc 0
57 mol 100 unq 3 iso 1 dist 9.35224 7.17106 8.87654 7.01812 10.0456 8.4128 5.88134 6.56369 10.5134 8.30845 12.0662 12.6515 17.5254 12.2861 7.47343 numMergedOcc 0
58 mol 100 unq 4 iso 0 dist 7.17106 9.35224 8.87654 7.01812 8.4128 10.0456 5.88134 10.5134 6.56369 8.30845 9.60661 11.5403 7.80879 5.80144 6.65086 numMergedOcc 0
59 mol 100 unq 4 iso 1 dist 9.35224 7.17106 8.87654 7.01812 10.0456 8.4128 5.88134 6.56369 10.5134 8.30845 9.60661 7.80879 11.5403 5.80144 6.65086 numMergedOcc 0
60 mol 100 unq 5 iso 0 dist 7.17106 9.35224 8.87654 7.01812 8.4128 10.0456 5.88134 10.5134 6.56369 8.30845 10.5853 8.7812 6.39938 6.70236 9.30209 numMergedOcc 0
61 mol 100 unq 5 iso 1 dist 9.35224 7.17106 8.87654 7.01812 10.0456 8.4128 5.88134 6.56369 10.5134 8.30845 10.5853 6.39938 8.7812 6.70236 9.30209 numMergedOcc 0
62 mol 100 unq 6 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 5.88134 12.0662 9.60661 7.01812 10.5134 17.5254 11.5403 8.4128 7.17106 numMergedOcc 0
63 mol 100 unq 6 iso 1 dist 6.65086 7.47343 8.8807 8.30845 5.80144 12.2861 5.88134 9.60661 12.0662 7.01812 10.5134 11.5403 17.5254 8.4128 7.17106 numMergedOcc 0
64 mol 100 unq 7 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 5.88134 12.0662 9.60661 7.01812 6.56369 12.6515 7.80879 10.0456 9.35224 numMergedOcc 0
65 mol 100 unq 7 iso 1 dist 6.65086 7.47343 8.8807 8.30845 5.80144 12.2861 5.88134 9.60661 12.0662 7.01812 6.56369 7.80879 12.6515 10.0456 9.35224 numMergedOcc 0
66 mol 100 unq 8 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 5.88134 12.0662 9.35224 7.01812 6.65086 8.8807 7.80879 5.80144 9.60661 numMergedOcc 0
67 mol 100 unq 8 iso 1 dist 6.56369 7.47343 12.6515 8.30845 10.0456 12.2861 5.88134 9.35224 12.0662 7.01812 6.65086 7.80879 8.8807 5.80144 9.60661 numMergedOcc 0
68 mol 100 unq 9 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 5.88134 12.0662 9.35224 7.01812 10.5134 17.5254 8.87654 8.4128 7.17106 numMergedOcc 0
69 mol 100 unq 9 iso 1 dist 6.56369 7.47343 12.6515 8.30845 10.0456 12.2861 5.88134 9.35224 12.0662 7.01812 10.5134 8.87654 17.5254 8.4128 7.17106 numMergedOcc 0
70 mol 100 unq 10 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 5.88134 12.0662 10.5853 7.01812 6.65086 8.8807 5.38414 5.80144 9.60661 numMergedOcc 0
71 mol 100 unq 10 iso 1 dist 9.30209 7.47343 13.887 8.30845 6.70236 12.2861 5.88134 10.5853 12.0662 7.01812 6.65086 5.38414 8.8807 5.80144 9.60661 numMergedOcc 0
72 mol 100 unq 11 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 5.88134 12.0662 10.5853 7.01812 10.5134 17.5254 8.7812 8.4128 7.17106 numMergedOcc 0
73 mol 100 unq 11 iso 1 dist 9.30209 7.47343 13.887 8.30845 6.70236 12.2861 5.88134 10.5853 12.0662 7.01812 10.5134 8.7812 17.5254 8.4128 7.17106 numMergedOcc 0
74 mol 100 unq 12 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 5.88134 12.0662 10.5853 7.01812 6.56369 12.6515 6.39938 10.0456 9.35224 numMergedOcc 0
75 mol 100 unq 12 iso 1 dist 9.30209 7.47343 13.887 8.30845 6.70236 12.2861 5.88134 10.5853 12.0662 7.01812 6.56369 6.39938 12.6515 10.0456 9.35224 numMergedOcc 0
76 mol 100 unq 8 iso 0 dist 6.65086 6.56369 7.80879 8.30845 5.80144 10.0456 5.88134 9.60661 9.35224 7.01812 10.5134 11.5403 8.87654 8.4128 7.17106 numMergedOcc 0
77 mol 100 unq 8 iso 1 dist 6.56369 6.65086 7.80879 8.30845 10.0456 5.80144 5.88134 9.35224 9.60661 7.01812 10.5134 8.87654 11.5403 8.4128 7.17106 numMergedOcc 0
78 mol 100 unq 9 iso 0 dist 6.65086 9.30209 5.38414 8.30845 5.80144 6.70236 5.88134 9.60661 10.5853 7.01812 10.5134 11.5403 8.7812 8.4128 7.17106 numMergedOcc 0
79 mol 100 unq 9 iso 1 dist 9.30209 6.65086 5.38414 8.30845 6.70236 5.80144 5.88134 10.5853 9.60661 7.01812 10.5134 8.7812 11.5403 8.4128 7.17106 numMergedOcc 0
80 mol 100 unq 10 iso 0 dist 6.65086 9.30209 5.38414 8.30845 5.80144 6.70236 5.88134 9.60661 10.5853 7.01812 6.56369 7.80879 6.39938 10.0456 9.35224 numMergedOcc 0
81 mol 100 unq 10 iso 1 dist 9.30209 6.65086 5.38414 8.30845 6.70236 5.80144 5.88134 10.5853 9.60661 7.01812 6.56369 6.39938 7.80879 10.0456 9.35224 numMergedOcc 0
82 mol 100 unq 9 iso 0 dist 6.56369 9.30209 6.39938 8.30845 10.0456 6.70236 5.88134 9.35224 10.5853 7.01812 6.65086 7.80879 5.38414 5.80144 9.60661 numMergedOcc 0
83 mol 100 unq 9 iso 1 dist 9.30209 6.56369 6.39938 8.30845 6.70236 10.0456 5.88134 10.5853 9.35224 7.01812 6.65086 5.38414 7.80879 5.80144 9.60661 numMergedOcc 0
84 mol 100 unq 10 iso 0 dist 6.56369 9.30209 6.39938 8.30845 10.0456 6.70236 5.88134 9.35224 10.5853 7.01812 10.5134 8.87654 8.7812 8.4128 7.17106 numMergedOcc 0
85 mol 100 unq 10 iso 1 dist 9.30209 6.56369 6.39938 8.30845 6.70236 10.0456 5.88134 10.5853 9.35224 7.01812 10.5134 8.7812 8.87654 8.4128 7.17106 numMergedOcc 0
86 mol 133 unq 0 iso 0 dist 6.5107 9.52634 9.56949 6.66772 7.12976 4.34568 7.6656 12.0352 7.24514 7.71248 13.4163 14.2075 6.65743 10.6025 8.22656 numMergedOcc 0
87 mol 133 unq 0 iso 1 dist 9.52634 6.5107 9.56949 6.66772 4.34568 7.12976 7.6656 7.24514 12.0352 7.71248 13.4163 6.65743 14.2075 10.6025 8.22656 numMergedOcc 0
88 mol 133 unq 1 iso 0 dist 7.24514 8.22656 6.65743 7.71248 4.34568 10.6025 7.6656 9.52634 13.4163 6.66772 12.0352 9.56949 14.2075 7.12976 6.5107 numMergedOcc 0
89 mol 133 unq 1 iso 1 dist 8.22656 7.24514 6.65743 7.71248 10.6025 4.34568 7.6656 13.4163 9.52634 6.66772 12.0352 14.2075 9.56949 7.12976 6.5107 numMergedOcc 0
90 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 11.9139 6.86927 8.80819 4.57832 8.94367 numMergedOcc 0
91 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 11.9139 8.80819 6.86927 4.57832 8.94367 numMergedOcc 0
92 mol 134 unq 1 iso 0 dist 9.89303 6.54501 5.79898 7.69991 4.60632 5.71679 5.00526 9.93925 6.49416 6.23142 9.5126 7.11631 5.00817 5.29786 6.37586 numMergedOcc 0
93 mol 134 unq 1 iso 1 dist 6.54501 9.89303 5.79898 7.69991 5.71679 4.60632 5.00526 6.49416 9.93925 6.23142 9.5126 5.00817 7.11631 5.29786 6.37586 numMergedOcc 0
94 mol 134 unq 2 iso 0 dist 9.89303 6.54501 5.79898 7.69991 4.60632 5.71679 11.3271 14.423 12.5075 9.94764 11.9139 6.86927 8.80819 4.57832 9.86662 numMergedOcc 0
95 mol 134 unq 2 iso 1 dist 6.54501 9.89303 5.79898 7.69991 5.71679 4.60632 11.3271 12.5075 14.423 9.94764 11.9139 8.80819 6.86927 4.57832 9.86662 numMergedOcc 0
96 mol 134 unq 3 iso 0 dist 9.89303 6.54501 5.79898 7.69991 4.60632 5.71679 11.3271 14.423 12.5075 9.94764 9.5126 7.11631 5.00817 5.29786 9.71307 numMergedOcc 0
97 mol 134 unq 3 iso 1 dist 6.54501 9.89303 5.79898 7.69991 5.71679 4.60632 11.3271 12.5075 14.423 9.94764 9.5126 5.00817 7.11631 5.29786 9.71307 numMergedOcc 0
98 mol 134 unq 4 iso 0 dist 8.94367 6.37586 5.49782 6.23142 4.57832 5.29786 5.00526 11.9139 9.5126 7.69991 9.93925 6.86927 7.11631 4.60632 9.89303 numMergedOcc 0
99 mol 134 unq 4 iso 1 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 5.00526 9.5126 11.9139 7.69991 9.93925 7.11631 6.86927 4.60632 9.89303 numMergedOcc 0
100 mol 134 unq 5 iso 0 dist 8.94367 6.37586 5.49782 6.23142 4.57832 5.29786 5.00526 11.9139 9.5126 7.69991 6.49416 8.80819 5.00817 5.71679 6.54501 numMergedOcc 0
101 mol 134 unq 5 iso 1 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 5.00526 9.5126 11.9139 7.69991 6.49416 5.00817 8.80819 5.71679 6.54501 numMergedOcc 0
102 mol 134 unq 6 iso 0 dist 8.94367 6.49416 8.80819 6.23142 4.57832 5.71679 5.00526 11.9139 6.54501 7.69991 9.93925 6.86927 5.79898 4.60632 9.89303 numMergedOcc 0
103 mol 134 unq 6 iso 1 dist 6.49416 8.94367 8.80819 6.23142 5.71679 4.57832 5.00526 6.54501 11.9139 7.69991 9.93925 5.79898 6.86927 4.60632 9.89303 numMergedOcc 0
104 mol 134 unq 7 iso 0 dist 8.94367 6.49416 8.80819 6.23142 4.57832 5.71679 6.81259 9.86662 12.5075 9.94764 6.37586 5.49782 5.00817 5.29786 9.71307 numMergedOcc 0
105 mol 134 unq 7 iso 1 dist 6.49416 8.94367 8.80819 6.23142 5.71679 4.57832 6.81259 12.5075 9.86662 9.94764 6.37586 5.00817 5.49782 5.29786 9.71307 numMergedOcc 0
106 mol 134 unq 6 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 5.00526 9.5126 6.54501 7.69991 9.93925 7.11631 5.79898 4.60632 9.89303 numMergedOcc 0
107 mol 134 unq 6 iso 1 dist 6.49416 6.37586 5.00817 6.23142 5.71679 5.29786 5.00526 6.54501 9.5126 7.69991 9.93925 5.79898 7.11631 4.60632 9.89303 numMergedOcc 0
108 mol 134 unq 7 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 6.81259 9.71307 12.5075 9.94764 8.94367 5.49782 8.80819 4.57832 9.86662 numMergedOcc 0
109 mol 134 unq 7 iso 1 dist 6.49416 6.37586 5.00817 6.23142 5.71679 5.29786 6.81259 12.5075 9.71307 9.94764 8.94367 8.80819 5.49782 4.57832 9.86662 numMergedOcc 0
110 mol 134 unq 8 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 11.3271 11.9139 9.5126 7.69991 14.423 6.86927 7.11631 4.60632 9.89303 numMergedOcc 0
111 mol 134 unq 8 iso 1 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 11.3271 9.5126 11.9139 7.69991 14.423 7.11631 6.86927 4.60632 9.89303 numMergedOcc 0
112 mol 134 unq 9 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 11.3271 11.9139 9.5126 7.69991 12.5075 8.80819 5.00817 5.71679 6.54501 numMergedOcc 0
113 mol 134 unq 9 iso 1 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 11.3271 9.5126 11.9139 7.69991 12.5075 5.00817 8.80819 5.71679 6.54501 numMergedOcc 0
114 mol 134 unq 10 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 6.81259 8.94367 6.37586 6.23142 12.5075 8.80819 5.00817 5.71679 6.49416 numMergedOcc 0
115 mol 134 unq 10 iso 1 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 6.81259 6.37586 8.94367 6.23142 12.5075 5.00817 8.80819 5.71679 6.49416 numMergedOcc 0
116 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 6.2479 6.6251 7.81713 8.88798 5.98885 10.7062 7.99195 15.0228 10.1912 12.8522 10.09 9.09537 numMergedOcc 0
117 mol 181 unq 0 iso 1 dist 8.03334 9.1374 13.2049 6.2479 7.81713 6.6251 8.88798 10.7062 5.98885 7.99195 15.0228 12.8522 10.1912 10.09 9.09537 numMergedOcc 0
118 mol 181 unq 1 iso 0 dist 5.98885 9.09537 10.1912 7.99195 6.6251 10.09 8.88798 9.1374 15.0228 6.2479 10.7062 13.2049 12.8522 7.81713 8.03334 numMergedOcc 0
119 mol 181 unq 1 iso 1 dist 9.09537 5.98885 10.1912 7.99195 10.09 6.6251 8.88798 15.0228 9.1374 6.2479 10.7062 12.8522 13.2049 7.81713 8.03334 numMergedOcc 0
120 mol 227 unq 0 iso 0 dist 9.34734 8.65997 7.60506 7.43071 6.00424 10.204 4.39704 10.4905 10.8157 6.02296 7.22101 6.99063 5.22356 6.35849 7.09863 numMergedOcc 0
121 mol 227 unq 0 iso 1 dist 8.65997 9.34734 7.60506 7.43071 10.204 6.00424 4.39704 10.8157 10.4905 6.02296 7.22101 5.22356 6.99063 6.35849 7.09863 numMergedOcc 0
122 mol 227 unq 1 iso 0 dist 9.34734 7.56888 7.43198 7.43071 6.00424 9.76735 4.39704 10.4905 11.0431 6.02296 7.22101 6.99063 10.8658 6.35849 7.09863 numMergedOcc 0
123 mol 227 unq 1 iso 1 dist 7.56888 9.34734 7.43198 7.43071 9.76735 6.00424 4.39704 11.0431 10.4905 6.02296 7.22101 10.8658 6.99063 6.35849 7.09863 numMergedOcc 0
124 mol 227 unq 2 iso 0 dist 9.34734 7.55216 9.51866 7.43071 6.00424 9.32448 4.39704 10.4905 10.0334 6.02296 7.22101 6.99063 12.4689 6.35849 7.09863 numMergedOcc 0
125 mol 227 unq 2 iso 1 dist 7.55216 9.34734 9.51866 7.43071 9.32448 6.00424 4.39704 10.0334 10.4905 6.02296 7.22101 12.4689 6.99063 6.35849 7.09863 numMergedOcc 0
126 mol 227 unq 1 iso 0 dist 8.65997 7.56888 9.70012 7.43071 10.204 9.76735 4.39704 10.8157 11.0431 6.02296 7.22101 5.22356 10.8658 6.35849 7.09863 numMergedOcc 0
127 mol 227 unq 1 iso 1 dist 7.56888 8.65997 9.70012 7.43071 9.76735 10.204 4.39704 11.0431 10.8157 6.02296 7.22101 10.8658 5.22356 6.35849 7.09863 numMergedOcc 0
128 mol 227 unq 2 iso 0 dist 8.65997 7.55216 12.9332 7.43071 10.204 9.32448 4.39704 10.8157 10.0334 6.02296 7.22101 5.22356 12.4689 6.35849 7.09863 numMergedOcc 0
129 mol 227 unq 2 iso 1 dist 7.55216 8.65997 12.9332 7.43071 9.32448 10.204 4.39704 10.0334 10.8157 6.02296 7.22101 12.4689 5.22356 6.35849 7.09863 numMergedOcc 0
130 mol 227 unq 2 iso 0 dist 7.56888 7.55216 4.48529 7.43071 9.76735 9.32448 4.39704 11.0431 10.0334 6.02296 7.22101 10.8658 12.4689 6.35849 7.09863 numMergedOcc 0
131 mol 227 unq 2 iso 1 dist 7.55216 7.56888 4.48529 7.43071 9.32448 9.76735 4.39704 10.0334 11.0431 6.02296 7.22101 12.4689 10.8658 6.35849 7.09863 numMergedOcc 0
