0 mol 15 unq 0 iso 0 dist 9.97507 8.38064 9.03536 7.876 8.20465 5.88545 5.17568 6.82505 10.4158 8.63502 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 4.54938 7.20519 7.34551 7.97324 8.33878 6.63929 7.67038 8.4674 10.4091 14.6813 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.54938 7.20519 7.34551 7.97324 8.33878 6.63929 5.03957 7.82074 12.1187 10.9181 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 4.54938 6.864 5.80928 7.97324 8.33878 11.8689 7.67038 8.4674 4.51865 14.6813 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 4.54938 6.864 5.80928 7.97324 8.33878 11.8689 5.03957 7.82074 11.0366 10.9181 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 6.864 7.20519 7.07775 7.97324 11.8689 6.63929 7.67038 4.51865 10.4091 14.6813 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 6.864 4.54938 5.80928 7.97324 11.8689 8.33878 7.67038 4.51865 8.4674 14.6813 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 6.20293 8.80331 8.13395 6.79185 5.54797 11.1338 5.06502 5.73819 10.5523 8.92291 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 6.20293 8.80331 8.13395 6.79185 5.54797 11.1338 6.45462 8.93915 14.7803 8.37962 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 8.96978 4.45372 8.39969 8.24309 9.78528 9.84449 11.4456 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 9.33919 7.9151 15.9091 5.4148 6.19304 10.2049 9.79143 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 9.96396 9.38498 15.7123 9.33919 7.9151 15.9091 14.9342 8.70481 20.257 6.43377 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 9.96396 9.75218 12.016 9.33919 7.9151 5.44172 5.4148 6.19304 11.6369 9.79143 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 9.96396 9.75218 12.016 9.33919 7.9151 5.44172 14.9342 8.70481 10.1207 6.43377 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.30021 10.4545 12.3178 6.9948 7.47541 7.66905 5.62635 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 5.62635 10.4545 12.3178 6.9948 7.97049 6.19965 9.30021 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 7.47541 7.66905 5.42586 7.07868 9.87083 11.3372 6.9948 7.97049 6.19965 13.5621 numMergedOcc 0
17 mol 85 unq 3 iso 0 dist 7.47541 5.73196 6.87425 5.62635 10.4545 7.43006 6.9948 7.97049 11.2656 9.30021 numMergedOcc 0
18 mol 85 unq 4 iso 0 dist 7.47541 5.73196 6.87425 7.07868 9.87083 4.60756 6.9948 7.97049 11.2656 13.5621 numMergedOcc 0
19 mol 85 unq 5 iso 0 dist 6.19965 7.97049 5.42586 9.30021 12.3178 10.4545 4.26409 7.95579 11.3023 13.2368 numMergedOcc 0
20 mol 85 unq 6 iso 0 dist 6.19965 7.97049 5.42586 9.30021 12.3178 10.4545 6.9948 7.66905 7.47541 5.62635 numMergedOcc 0
21 mol 85 unq 7 iso 0 dist 7.66905 7.47541 5.42586 5.62635 12.3178 10.4545 10.7229 7.95579 11.3023 13.2368 numMergedOcc 0
22 mol 85 unq 8 iso 0 dist 7.66905 7.47541 5.42586 5.62635 12.3178 10.4545 6.9948 6.19965 7.97049 9.30021 numMergedOcc 0
23 mol 85 unq 9 iso 0 dist 7.66905 7.47541 5.42586 7.07868 11.3372 9.87083 10.7229 7.95579 11.3023 17.1126 numMergedOcc 0
24 mol 85 unq 10 iso 0 dist 7.66905 7.47541 5.42586 7.07868 11.3372 9.87083 6.9948 6.19965 7.97049 13.5621 numMergedOcc 0
25 mol 85 unq 11 iso 0 dist 7.66905 5.73196 10.1164 5.62635 12.3178 7.43006 10.7229 7.95579 15.309 13.2368 numMergedOcc 0
26 mol 85 unq 12 iso 0 dist 7.66905 5.73196 10.1164 5.62635 12.3178 7.43006 6.9948 6.19965 11.2656 9.30021 numMergedOcc 0
27 mol 85 unq 13 iso 0 dist 7.66905 5.73196 10.1164 7.07868 11.3372 4.60756 10.7229 7.95579 15.309 17.1126 numMergedOcc 0
28 mol 85 unq 14 iso 0 dist 7.66905 5.73196 10.1164 7.07868 11.3372 4.60756 6.9948 6.19965 11.2656 13.5621 numMergedOcc 0
29 mol 100 unq 0 iso 0 dist 9.35224 6.56369 5.88134 7.5951 6.35939 4.46114 7.80879 9.60661 6.65086 10.8753 numMergedOcc 0
30 mol 100 unq 1 iso 0 dist 9.35224 6.56369 5.88134 7.5951 6.35939 4.46114 8.87654 7.17106 10.5134 10.6599 numMergedOcc 0
31 mol 100 unq 2 iso 0 dist 6.56369 9.35224 5.88134 7.5951 4.46114 6.35939 12.6515 7.47343 12.0662 10.653 numMergedOcc 0
32 mol 100 unq 3 iso 0 dist 6.56369 9.35224 5.88134 7.5951 4.46114 6.35939 7.80879 6.65086 9.60661 10.8753 numMergedOcc 0
33 mol 100 unq 4 iso 0 dist 6.56369 9.35224 5.88134 7.5951 4.46114 6.35939 6.39938 9.30209 10.5853 12.2292 numMergedOcc 0
34 mol 117 unq 0 iso 0 dist 7.90328 9.84395 13.1058 8.2236 11.1062 10.0324 7.22206 7.83136 16.5575 11.3487 numMergedOcc 0
35 mol 117 unq 1 iso 0 dist 7.90328 9.84395 13.1058 8.2236 11.1062 10.0324 9.3584 7.0603 17.163 15.9037 numMergedOcc 0
36 mol 133 unq 0 iso 0 dist 8.00618 6.29155 11.965 4.51266 6.56917 5.47259 8.18495 7.11802 13.268 9.64695 numMergedOcc 0
37 mol 133 unq 1 iso 0 dist 8.00618 6.80239 7.79672 4.51266 6.56917 4.70102 8.18495 7.11802 12.6651 9.64695 numMergedOcc 0
38 mol 175 unq 0 iso 0 dist 9.0018 7.652 7.42466 5.08591 8.19969 5.33769 6.2715 5.6234 9.92231 8.03727 numMergedOcc 0
39 mol 175 unq 1 iso 0 dist 9.0018 7.652 7.42466 5.08591 8.19969 5.33769 8.16421 6.57069 10.2623 10.9009 numMergedOcc 0
40 mol 175 unq 2 iso 0 dist 7.652 9.0018 7.42466 5.08591 5.33769 8.19969 6.2715 9.92231 5.6234 8.03727 numMergedOcc 0
41 mol 175 unq 3 iso 0 dist 5.6234 9.92231 7.42466 8.03727 8.19969 5.33769 6.2715 9.0018 7.652 5.08591 numMergedOcc 0
42 mol 175 unq 4 iso 0 dist 5.6234 9.92231 7.42466 8.03727 8.19969 5.33769 5.35493 6.57069 10.2623 10.9009 numMergedOcc 0
43 mol 175 unq 5 iso 0 dist 9.92231 5.6234 7.42466 8.03727 5.33769 8.19969 6.2715 7.652 9.0018 5.08591 numMergedOcc 0
44 mol 229 unq 0 iso 0 dist 7.03423 9.06952 6.84129 7.38552 5.31837 4.74734 5.57838 8.22528 13.2905 10.662 numMergedOcc 0
45 mol 234 unq 0 iso 0 dist 6.56247 8.34494 6.29886 7.72403 8.83842 10.3378 5.88703 9.45496 12.9605 6.35438 numMergedOcc 0
46 mol 234 unq 1 iso 0 dist 6.56247 9.36357 7.82322 7.72403 8.83842 5.43327 5.88703 9.45496 6.7625 6.35438 numMergedOcc 0
47 mol 234 unq 2 iso 0 dist 9.36357 8.34494 12.1694 7.72403 5.43327 10.3378 5.88703 6.7625 12.9605 6.35438 numMergedOcc 0
48 mol 234 unq 3 iso 0 dist 9.36357 6.56247 7.82322 7.72403 5.43327 8.83842 5.88703 6.7625 9.45496 6.35438 numMergedOcc 0
49 mol 234 unq 4 iso 0 dist 9.45496 6.7625 7.82322 6.35438 8.83842 5.43327 5.88703 6.56247 9.36357 7.72403 numMergedOcc 0
50 mol 234 unq 5 iso 0 dist 6.7625 9.45496 7.82322 6.35438 5.43327 8.83842 5.88703 9.36357 6.56247 7.72403 numMergedOcc 0
51 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.64122 10.1317 8.53114 4.69778 8.13497 9.95973 11.9769 numMergedOcc 0
52 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 7.64122 10.1317 4.63899 4.69778 8.13497 10.3935 11.9769 numMergedOcc 0
53 mol 259 unq 2 iso 0 dist 7.88519 9.18903 10.4881 7.64122 10.1317 8.41812 4.69778 8.13497 12.6839 11.9769 numMergedOcc 0
