0 mol 7 unq 0 iso 0 dist 9.60499 6.02702 8.43473 11.8172 11.0773 8.72114 14.9635 14.6803 10.1959 5.72491 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 8.96553 8.53529 4.36226 12.4076 10.9634 7.03958 16.4393 9.99764 8.07902 7.92414 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 8.96553 8.53529 4.36226 12.4076 10.9634 7.03958 7.3915 7.43529 5.65816 6.82379 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 9.62879 7.18019 4.36226 10.9495 10.9634 7.03958 13.6835 9.99764 8.07902 7.92414 numMergedOcc 0
4 mol 8 unq 3 iso 0 dist 9.62879 7.18019 4.36226 10.9495 10.9634 7.03958 10.6335 7.43529 5.65816 6.82379 numMergedOcc 0
5 mol 8 unq 4 iso 0 dist 9.62879 7.18019 4.36226 8.4069 8.96553 8.53529 10.6335 7.43529 5.65816 7.3915 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 8.4674 8.40416 9.74255 7.67038 4.54938 7.75618 10.1882 5.18512 13.9675 6.92532 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 4.51865 8.40416 7.08342 7.67038 6.864 7.75618 10.1882 9.47529 13.9675 6.92532 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.86014 7.29868 8.52463 10.0952 8.86116 8.60554 10.7114 6.58998 6.99746 6.72502 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 6.86014 9.41441 6.66749 11.4989 11.0194 6.73939 13.0257 12.0003 10.0715 4.93188 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 8.86116 9.41441 14.012 11.4989 13.2433 6.73939 13.0257 11.2106 10.0715 4.93188 numMergedOcc 0
11 mol 24 unq 3 iso 0 dist 5.54419 8.4051 5.11617 14.6259 13.2433 8.60554 11.2485 9.48345 6.99746 6.72502 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 5.54419 8.75662 10.8238 14.6259 13.2433 9.44691 11.2485 9.48345 7.05541 6.72502 numMergedOcc 0
13 mol 24 unq 5 iso 0 dist 5.54419 8.70827 5.59311 12.3067 7.36323 9.12854 4.93188 4.33963 9.75636 9.24958 numMergedOcc 0
14 mol 24 unq 6 iso 0 dist 5.54419 6.73939 12.176 11.4989 15.5324 9.41441 14.156 17.4067 11.9395 6.60423 numMergedOcc 0
15 mol 24 unq 7 iso 0 dist 7.36323 8.4051 13.2229 14.6259 15.5296 8.60554 11.2485 13.1456 6.99746 6.72502 numMergedOcc 0
16 mol 24 unq 8 iso 0 dist 7.36323 8.75662 6.7828 14.6259 15.5296 9.44691 11.2485 13.1456 7.05541 6.72502 numMergedOcc 0
17 mol 24 unq 9 iso 0 dist 7.36323 9.12854 5.59311 12.3067 5.54419 8.70827 9.24958 4.33963 9.75636 4.93188 numMergedOcc 0
18 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 10.9391 11.9561 6.16347 17.3821 17.9006 11.0508 6.90155 numMergedOcc 0
19 mol 25 unq 1 iso 0 dist 7.57578 6.16347 9.34396 10.9391 12.7009 7.45383 16.357 15.572 11.7817 6.6492 numMergedOcc 0
20 mol 25 unq 2 iso 0 dist 7.57578 7.92503 6.11127 10.6808 13.7311 8.6653 6.90155 9.36158 6.61233 5.81959 numMergedOcc 0
21 mol 25 unq 3 iso 0 dist 7.17969 6.16347 10.8498 10.9391 12.8117 7.45383 16.357 16.7731 11.7817 6.6492 numMergedOcc 0
22 mol 25 unq 4 iso 0 dist 7.17969 7.92503 5.30154 10.6808 12.9968 8.6653 6.90155 10.1525 6.61233 5.81959 numMergedOcc 0
23 mol 25 unq 5 iso 0 dist 7.31767 8.6653 5.64303 10.6808 12.4135 7.92503 5.81959 7.63409 6.61233 6.90155 numMergedOcc 0
24 mol 25 unq 6 iso 0 dist 6.03987 8.6653 5.82503 10.6808 11.6743 7.92503 5.81959 8.4666 6.61233 6.90155 numMergedOcc 0
25 mol 85 unq 0 iso 0 dist 5.73196 9.39864 4.65335 10.1164 7.66905 7.54568 14.9249 10.121 6.85215 7.33422 numMergedOcc 0
26 mol 119 unq 0 iso 0 dist 8.73993 6.52773 7.20179 4.85907 10.3704 9.11344 8.56342 4.91132 6.96805 7.99857 numMergedOcc 0
27 mol 119 unq 1 iso 0 dist 9.87172 9.11344 10.9441 4.85907 12.6489 6.52773 7.99857 7.61939 6.96805 8.56342 numMergedOcc 0
28 mol 119 unq 2 iso 0 dist 9.87172 9.11344 10.9441 4.85907 12.6489 6.52773 10.4631 14.8299 4.86811 6.37542 numMergedOcc 0
29 mol 133 unq 0 iso 0 dist 6.80239 5.87634 4.54648 7.81217 6.29155 6.16242 11.1595 5.74088 9.34112 6.76699 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 9.89303 5.83771 7.41674 5.79898 6.54501 7.80532 10.0513 5.35679 8.98004 5.53031 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 7.54065 8.73217 11.7429 14.5862 16.3985 7.76163 14.713 18.3562 6.71237 6.72641 numMergedOcc 0
32 mol 206 unq 0 iso 0 dist 7.7366 6.16414 6.45859 5.63422 9.774 7.75885 12.3357 9.9412 10.7023 8.70977 numMergedOcc 0
33 mol 227 unq 0 iso 0 dist 7.09863 6.02296 6.35849 4.39704 7.22101 7.43071 12.2278 10.5813 12.8075 8.03442 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 5.72887 9.24557 14.7883 10.0191 13.5431 7.57812 7.32982 12.3808 4.77308 6.66971 numMergedOcc 0
35 mol 258 unq 0 iso 0 dist 6.60405 7.21311 5.63675 12.321 10.5548 9.63959 11.3331 8.47336 4.22544 9.1925 numMergedOcc 0
36 mol 259 unq 0 iso 0 dist 8.13497 7.98231 8.41846 6.96053 10.3935 7.08526 10.5803 6.1686 6.31909 8.55558 numMergedOcc 0
37 mol 259 unq 1 iso 0 dist 7.88519 7.98231 8.81835 6.96053 7.46176 7.08526 10.5803 5.60748 6.31909 8.55558 numMergedOcc 0
38 mol 278 unq 0 iso 0 dist 8.44326 8.00673 4.97614 8.29447 10.6095 6.62841 12.4198 16.1568 13.537 7.67245 numMergedOcc 0
