0 mol 15 unq 0 iso 0 dist 9.97507 6.82505 5.17568 9.03536 8.38064 10.4158 8.20465 7.876 8.63502 5.88545 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.4674 4.54938 7.67038 5.80928 4.51865 6.864 8.33878 14.6813 7.97324 11.8689 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.51865 6.864 7.67038 5.80928 8.4674 4.54938 11.8689 14.6813 7.97324 8.33878 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.86116 6.86014 10.0952 6.44287 8.38394 12.5077 7.72775 15.8896 9.61998 12.3633 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 8.13395 8.80331 10.5523 5.54797 6.79185 8.92291 11.1338 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 6.20293 8.93915 6.45462 8.13395 8.80331 14.7803 5.54797 6.79185 8.37962 11.1338 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 15.7123 9.38498 10.2049 7.9151 9.33919 9.79143 15.9091 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 9.96396 6.19304 5.4148 12.016 9.75218 11.6369 7.9151 9.33919 9.79143 5.44172 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 9.96396 8.70481 14.9342 15.7123 9.38498 20.257 7.9151 9.33919 6.43377 15.9091 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 9.96396 8.70481 14.9342 12.016 9.75218 10.1207 7.9151 9.33919 6.43377 5.44172 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 7.97049 7.47541 6.9948 5.42586 6.19965 7.66905 10.4545 9.30021 5.62635 12.3178 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 7.97049 7.47541 6.9948 5.42586 6.19965 7.66905 9.87083 13.5621 7.07868 11.3372 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 7.47541 7.97049 6.9948 5.42586 7.66905 6.19965 10.4545 5.62635 9.30021 12.3178 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 7.47541 7.97049 6.9948 6.87425 5.73196 11.2656 10.4545 5.62635 9.30021 7.43006 numMergedOcc 0
14 mol 85 unq 4 iso 0 dist 6.19965 7.66905 6.9948 5.42586 7.97049 7.47541 12.3178 9.30021 5.62635 10.4545 numMergedOcc 0
15 mol 85 unq 5 iso 0 dist 6.19965 7.66905 6.9948 5.42586 7.97049 7.47541 11.3372 13.5621 7.07868 9.87083 numMergedOcc 0
16 mol 85 unq 6 iso 0 dist 7.66905 6.19965 6.9948 5.42586 7.47541 7.97049 12.3178 5.62635 9.30021 10.4545 numMergedOcc 0
17 mol 85 unq 7 iso 0 dist 7.66905 6.19965 6.9948 10.1164 5.73196 11.2656 12.3178 5.62635 9.30021 7.43006 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 5.88134 6.65086 10.5134 8.07089 12.5743 8.20656 12.8256 numMergedOcc 0
19 mol 100 unq 1 iso 0 dist 9.60661 9.35224 7.80879 5.88134 6.65086 6.56369 6.35939 10.8753 7.5951 4.46114 numMergedOcc 0
20 mol 100 unq 2 iso 0 dist 9.35224 7.17106 8.87654 5.88134 6.56369 10.5134 8.07089 14.6339 8.20656 12.8256 numMergedOcc 0
21 mol 100 unq 3 iso 0 dist 7.47343 6.56369 12.6515 5.33144 6.45675 11.8665 4.46114 10.653 7.5951 6.78803 numMergedOcc 0
22 mol 100 unq 4 iso 0 dist 7.47343 6.56369 12.6515 10.1407 8.86688 13.6959 4.46114 10.653 7.5951 9.62021 numMergedOcc 0
23 mol 100 unq 5 iso 0 dist 6.65086 6.56369 7.80879 5.88134 9.60661 9.35224 4.46114 10.8753 7.5951 6.35939 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 8.00618 7.11802 8.18495 11.965 6.29155 13.268 6.56917 4.51266 9.64695 5.47259 numMergedOcc 0
25 mol 133 unq 1 iso 0 dist 8.00618 7.11802 8.18495 7.79672 6.80239 12.6651 6.56917 4.51266 9.64695 4.70102 numMergedOcc 0
26 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 7.42466 7.652 9.92231 8.19969 5.08591 8.03727 5.33769 numMergedOcc 0
27 mol 175 unq 1 iso 0 dist 7.652 9.92231 6.2715 7.42466 9.0018 5.6234 5.33769 5.08591 8.03727 8.19969 numMergedOcc 0
28 mol 175 unq 2 iso 0 dist 5.6234 9.0018 6.2715 7.42466 9.92231 7.652 8.19969 8.03727 5.08591 5.33769 numMergedOcc 0
29 mol 175 unq 3 iso 0 dist 9.92231 7.652 6.2715 7.42466 5.6234 9.0018 5.33769 8.03727 5.08591 8.19969 numMergedOcc 0
30 mol 206 unq 0 iso 0 dist 9.774 7.7366 5.63422 10.4 8.02137 11.1804 9.81596 11.0438 5.52084 15.2938 numMergedOcc 0
31 mol 234 unq 0 iso 0 dist 6.56247 9.45496 5.88703 6.29886 8.34494 12.9605 8.83842 7.72403 6.35438 10.3378 numMergedOcc 0
32 mol 234 unq 1 iso 0 dist 6.56247 9.45496 5.88703 7.82322 9.36357 6.7625 8.83842 7.72403 6.35438 5.43327 numMergedOcc 0
33 mol 234 unq 2 iso 0 dist 9.36357 6.7625 5.88703 12.1694 8.34494 12.9605 5.43327 7.72403 6.35438 10.3378 numMergedOcc 0
34 mol 234 unq 3 iso 0 dist 9.36357 6.7625 5.88703 7.82322 6.56247 9.45496 5.43327 7.72403 6.35438 8.83842 numMergedOcc 0
35 mol 234 unq 4 iso 0 dist 9.45496 6.56247 5.88703 7.82322 6.7625 9.36357 8.83842 6.35438 7.72403 5.43327 numMergedOcc 0
36 mol 234 unq 5 iso 0 dist 6.7625 9.36357 5.88703 7.82322 9.45496 6.56247 5.43327 6.35438 7.72403 8.83842 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 8.13497 7.88519 4.69778 10.582 8.53687 10.5767 10.1317 11.9769 7.64122 16.7404 numMergedOcc 0
