0 mol 7 unq 0 iso 0 dist 8.23909 13.7145 6.02702 15.861 11.8172 8.72114 22.9059 18.3807 13.8829 7.10621 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.85726 5.25379 6.7985 12.9476 9.0379 9.68596 16.4323 16.7601 14.7759 8.41585 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.72215 6.11915 6.02702 12.8863 11.8172 8.72114 17.8838 18.3807 13.8829 7.10621 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 7.45487 7.07501 7.18019 9.49106 8.4069 8.53529 5.43751 9.62879 4.36226 8.96553 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 8.47315 12.1062 6.72833 16.8248 10.4852 6.93532 15.5001 11.0958 5.30082 5.05803 numMergedOcc 0
5 mol 16 unq 1 iso 0 dist 8.47315 12.1062 6.72833 16.8248 10.4852 6.93532 21.9215 15.8605 10.4366 6.31718 numMergedOcc 0
6 mol 16 unq 2 iso 0 dist 8.33883 10.2885 6.93532 16.4381 10.4852 6.72833 15.4576 11.6856 6.51133 4.7319 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 9.90845 14.9821 8.60554 22.8598 14.6259 8.4051 19.539 13.2433 5.11617 5.54419 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 9.90845 14.9821 8.60554 22.8598 14.6259 8.4051 25.125 15.5296 13.2229 7.36323 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 9.90845 14.9821 8.60554 10.6042 10.0952 7.29868 9.59761 8.86116 8.52463 6.86014 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 9.90845 18.8056 9.44691 22.8598 14.6259 8.75662 19.539 13.2433 10.8238 5.54419 numMergedOcc 0
11 mol 24 unq 4 iso 0 dist 9.90845 18.8056 9.44691 22.8598 14.6259 8.75662 25.125 15.5296 6.7828 7.36323 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 7.84983 6.64072 5.93884 12.9335 5.30792 9.92355 11.5882 6.62496 5.78774 6.86465 numMergedOcc 0
13 mol 58 unq 1 iso 0 dist 7.84983 6.64072 5.93884 9.56737 4.81926 7.68678 11.5882 6.62496 5.78774 6.35756 numMergedOcc 0
14 mol 58 unq 2 iso 0 dist 9.56737 6.64072 7.68678 12.9335 5.35073 9.92355 11.5882 6.35756 5.78774 6.86465 numMergedOcc 0
15 mol 58 unq 3 iso 0 dist 9.56737 6.64072 7.68678 7.84983 4.81926 5.93884 11.5882 6.35756 5.78774 6.62496 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 6.7225 6.39438 6.92026 10.2695 6.5838 5.88249 5.39296 5.11551 6.77806 7.11972 numMergedOcc 0
17 mol 115 unq 1 iso 0 dist 6.7225 6.39438 6.92026 10.2695 6.5838 5.88249 11.2571 11.4095 5.31484 6.90986 numMergedOcc 0
18 mol 115 unq 2 iso 0 dist 6.7225 6.39438 6.92026 13.1517 10.5564 6.97707 11.2571 11.4095 5.31484 5.39945 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 9.42766 13.1831 6.52773 13.6653 4.85907 9.11344 21.9684 12.6489 10.9441 9.87172 numMergedOcc 0
20 mol 130 unq 0 iso 0 dist 8.54461 7.91054 8.78276 7.83619 8.38345 7.96646 10.0837 14.387 6.73735 9.28393 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 9.48243 11.7748 9.97654 11.0972 6.69554 6.66772 7.00572 9.66421 7.12976 6.5107 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 9.48243 11.7748 9.97654 11.0972 6.69554 6.66772 11.6637 9.91388 4.34568 9.52634 numMergedOcc 0
23 mol 133 unq 2 iso 0 dist 9.48243 11.7748 9.97654 14.1743 6.761 7.71248 11.6637 9.91388 4.34568 7.24514 numMergedOcc 0
24 mol 133 unq 3 iso 0 dist 9.48243 11.7748 9.97654 14.1743 6.761 7.71248 13.1763 10.0372 10.6025 8.22656 numMergedOcc 0
25 mol 133 unq 4 iso 0 dist 6.11955 4.7146 5.87634 10.4171 7.81217 6.16242 7.96098 6.80239 4.54648 6.29155 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 7.78849 4.15314 5.83771 11.4625 5.79898 7.80532 11.454 9.89303 7.41674 6.54501 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 7.78849 4.15314 5.83771 11.4625 5.79898 7.80532 13.8503 9.93925 9.87376 6.49416 numMergedOcc 0
28 mol 156 unq 0 iso 0 dist 8.81169 4.1075 6.30021 10.3078 5.76755 9.47433 10.1682 10.4649 11.9952 7.44554 numMergedOcc 0
29 mol 227 unq 0 iso 0 dist 9.17826 16.3489 7.43071 13.0242 4.39704 6.02296 14.9329 7.22101 6.35849 7.09863 numMergedOcc 0
30 mol 227 unq 1 iso 0 dist 9.64299 9.17153 6.02296 12.7101 4.39704 7.43071 12.6359 10.4905 6.00424 9.34734 numMergedOcc 0
31 mol 227 unq 2 iso 0 dist 9.64299 9.17153 6.02296 12.7101 4.39704 7.43071 7.69739 7.09863 6.35849 7.22101 numMergedOcc 0
32 mol 227 unq 3 iso 0 dist 9.64299 9.17153 6.02296 12.7101 4.39704 7.43071 12.5771 10.8157 10.204 8.65997 numMergedOcc 0
33 mol 227 unq 4 iso 0 dist 9.64299 9.17153 6.02296 12.7101 4.39704 7.43071 17.6422 11.0431 9.76735 7.56888 numMergedOcc 0
34 mol 227 unq 5 iso 0 dist 9.64299 9.17153 6.02296 12.7101 4.39704 7.43071 17.9249 10.0334 9.32448 7.55216 numMergedOcc 0
35 mol 231 unq 0 iso 0 dist 7.79865 7.00432 6.98875 6.14348 4.06055 6.54852 5.3251 7.37839 6.37275 8.40182 numMergedOcc 0
36 mol 231 unq 1 iso 0 dist 6.14348 7.00432 6.54852 7.79865 4.06055 6.98875 5.3251 8.40182 6.37275 7.37839 numMergedOcc 0
37 mol 258 unq 0 iso 0 dist 6.09782 8.01004 9.63959 12.9664 12.321 7.21311 8.31011 10.5548 5.63675 6.60405 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 7.93997 10.9643 7.08526 13.8509 6.96053 7.98231 17.4589 10.3935 8.41846 8.13497 numMergedOcc 0
39 mol 259 unq 1 iso 0 dist 7.93997 10.9643 7.08526 13.8509 6.96053 7.98231 14.8465 7.46176 8.81835 7.88519 numMergedOcc 0
