0 mol 7 unq 0 iso 0 dist 8.23909 13.823 9.60499 13.7145 6.02702 8.43473 15.861 11.8172 11.0773 8.72114 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.85726 11.5784 9.60499 5.25379 6.7985 6.55304 12.9476 9.0379 10.6581 9.68596 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.72215 5.38502 9.60499 6.11915 6.02702 8.43473 12.8863 11.8172 11.0773 8.72114 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 7.45487 5.43751 9.62879 7.07501 7.18019 4.36226 13.9525 10.9495 10.9634 7.03958 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 7.45487 5.43751 9.62879 7.07501 7.18019 4.36226 9.49106 8.4069 8.96553 8.53529 numMergedOcc 0
5 mol 8 unq 2 iso 0 dist 7.45487 5.43751 9.62879 7.07501 7.18019 4.36226 11.9557 6.23795 12.4058 8.44009 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 8.47315 5.59769 4.7319 12.1062 6.72833 6.51133 16.8248 10.4852 11.6856 6.93532 numMergedOcc 0
7 mol 16 unq 1 iso 0 dist 8.33883 5.38671 5.05803 10.2885 6.93532 5.30082 16.4381 10.4852 11.0958 6.72833 numMergedOcc 0
8 mol 16 unq 2 iso 0 dist 8.33883 5.45161 6.31718 10.2885 6.93532 10.4366 16.4381 10.4852 15.8605 6.72833 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 14.9821 8.60554 8.52463 22.8598 14.6259 15.5324 8.4051 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 9.90845 9.59761 8.86116 14.9821 8.60554 8.52463 10.6042 10.0952 6.86014 7.29868 numMergedOcc 0
11 mol 24 unq 2 iso 0 dist 9.90845 9.59761 8.86116 18.8056 9.44691 13.4893 22.8598 14.6259 15.5324 8.75662 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 9.90845 9.89489 8.38394 14.9821 8.60554 12.3994 22.8598 14.6259 17.8264 8.4051 numMergedOcc 0
13 mol 24 unq 4 iso 0 dist 9.90845 9.89489 8.38394 14.9821 8.60554 12.3994 10.6042 10.0952 12.5077 7.29868 numMergedOcc 0
14 mol 24 unq 5 iso 0 dist 9.90845 9.89489 8.38394 18.8056 9.44691 12.505 22.8598 14.6259 17.8264 8.75662 numMergedOcc 0
15 mol 58 unq 0 iso 0 dist 7.84983 11.5882 6.62496 6.64072 5.93884 5.78774 12.9335 5.30792 6.86465 9.92355 numMergedOcc 0
16 mol 58 unq 1 iso 0 dist 7.84983 11.5882 6.62496 6.64072 5.93884 5.78774 9.56737 4.81926 6.35756 7.68678 numMergedOcc 0
17 mol 58 unq 2 iso 0 dist 9.56737 11.5882 6.35756 6.64072 7.68678 5.78774 12.9335 5.35073 6.86465 9.92355 numMergedOcc 0
18 mol 58 unq 3 iso 0 dist 9.56737 11.5882 6.35756 6.64072 7.68678 5.78774 7.84983 4.81926 6.62496 5.93884 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 6.7225 5.39296 5.11551 6.39438 6.92026 6.77806 10.2695 6.5838 7.11972 5.88249 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 6.7225 5.39296 5.11551 6.39438 6.92026 6.77806 13.1517 10.5564 11.8863 6.97707 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 9.42766 14.0677 8.73993 13.1831 6.52773 7.20179 13.6653 4.85907 10.3704 9.11344 numMergedOcc 0
22 mol 125 unq 0 iso 0 dist 8.84867 5.41246 8.62381 11.7281 7.73435 7.43922 13.8831 5.20403 12.7528 8.76789 numMergedOcc 0
23 mol 125 unq 1 iso 0 dist 8.84867 5.41246 8.62381 14.8614 9.3778 11.0769 13.8831 5.20403 12.7528 9.08382 numMergedOcc 0
24 mol 125 unq 2 iso 0 dist 8.84867 5.41246 8.62381 14.8614 9.3778 11.0769 19.5018 11.8325 17.1992 7.47069 numMergedOcc 0
25 mol 130 unq 0 iso 0 dist 7.83619 10.0837 9.28393 7.91054 7.96646 6.73735 8.54461 8.38345 14.387 8.78276 numMergedOcc 0
26 mol 130 unq 1 iso 0 dist 7.83619 10.0837 9.28393 7.91054 7.96646 6.73735 11.3273 10.0969 14.2551 7.88805 numMergedOcc 0
27 mol 130 unq 2 iso 0 dist 7.83619 10.0837 9.28393 7.91054 7.96646 6.73735 14.6047 10.7116 12.2375 7.90048 numMergedOcc 0
28 mol 130 unq 3 iso 0 dist 9.91643 7.40242 9.28393 11.6197 7.96646 6.73735 17.231 8.38345 14.387 8.78276 numMergedOcc 0
29 mol 130 unq 4 iso 0 dist 9.91643 7.40242 9.28393 11.6197 7.96646 6.73735 16.8947 10.0969 14.2551 7.88805 numMergedOcc 0
30 mol 130 unq 5 iso 0 dist 9.91643 7.40242 9.28393 11.6197 7.96646 6.73735 12.9219 10.7116 12.2375 7.90048 numMergedOcc 0
31 mol 133 unq 0 iso 0 dist 9.48243 11.6637 9.91388 11.7748 9.97654 4.34568 11.0972 6.69554 9.52634 6.66772 numMergedOcc 0
32 mol 133 unq 1 iso 0 dist 9.48243 11.6637 9.91388 11.7748 9.97654 4.34568 14.1743 6.761 7.24514 7.71248 numMergedOcc 0
33 mol 133 unq 2 iso 0 dist 6.11955 7.96098 6.80239 4.7146 5.87634 4.54648 10.4171 7.81217 6.29155 6.16242 numMergedOcc 0
34 mol 134 unq 0 iso 0 dist 7.78849 11.454 9.89303 4.15314 5.83771 7.41674 11.4625 5.79898 6.54501 7.80532 numMergedOcc 0
35 mol 227 unq 0 iso 0 dist 9.17826 16.2594 9.34734 16.3489 7.43071 6.00424 13.0242 4.39704 10.4905 6.02296 numMergedOcc 0
36 mol 227 unq 1 iso 0 dist 9.17826 14.9329 7.22101 16.3489 7.43071 6.35849 13.0242 4.39704 7.09863 6.02296 numMergedOcc 0
37 mol 227 unq 2 iso 0 dist 9.17826 13.2783 8.65997 16.3489 7.43071 10.204 13.0242 4.39704 10.8157 6.02296 numMergedOcc 0
38 mol 227 unq 3 iso 0 dist 9.17826 10.6504 7.56888 16.3489 7.43071 9.76735 13.0242 4.39704 11.0431 6.02296 numMergedOcc 0
39 mol 227 unq 4 iso 0 dist 9.17826 11.4528 7.55216 16.3489 7.43071 9.32448 13.0242 4.39704 10.0334 6.02296 numMergedOcc 0
40 mol 227 unq 5 iso 0 dist 9.64299 7.69739 7.09863 9.17153 6.02296 6.35849 12.7101 4.39704 7.22101 7.43071 numMergedOcc 0
41 mol 231 unq 0 iso 0 dist 7.79865 5.3251 7.37839 7.00432 6.98875 6.37275 6.14348 4.06055 8.40182 6.54852 numMergedOcc 0
42 mol 231 unq 1 iso 0 dist 6.14348 5.3251 8.40182 7.00432 6.54852 6.37275 7.79865 4.06055 7.37839 6.98875 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 9.31417 6.62361 5.72887 16.7165 9.24557 14.7883 15.7202 10.0191 13.5431 7.57812 numMergedOcc 0
44 mol 238 unq 1 iso 0 dist 5.56719 5.96552 5.72887 11.9863 9.24557 14.7883 11.1188 10.0191 13.5431 7.57812 numMergedOcc 0
45 mol 249 unq 0 iso 0 dist 7.29898 6.6173 7.57994 10.4369 5.48118 10.7772 11.0836 5.3927 12.8752 7.25858 numMergedOcc 0
46 mol 249 unq 1 iso 0 dist 7.29898 8.95486 6.18582 10.4369 5.48118 7.04666 11.0836 5.3927 11.2388 7.25858 numMergedOcc 0
47 mol 249 unq 2 iso 0 dist 8.91685 5.25611 7.57994 13.4788 5.48118 10.7772 13.0753 5.3927 12.8752 7.25858 numMergedOcc 0
48 mol 249 unq 3 iso 0 dist 8.91685 9.66184 6.18582 13.4788 5.48118 7.04666 13.0753 5.3927 11.2388 7.25858 numMergedOcc 0
49 mol 259 unq 0 iso 0 dist 7.93997 14.8465 7.46176 10.9643 7.08526 8.81835 13.8509 6.96053 7.88519 7.98231 numMergedOcc 0
50 mol 278 unq 0 iso 0 dist 9.82774 10.5903 8.44326 11.9007 8.00673 4.97614 15.9748 8.29447 10.6095 6.62841 numMergedOcc 0
