0 mol 7 unq 0 iso 0 dist 8.88982 4.24307 9.8603 13.9585 7.10621 14.6665 14.92 8.72114 15.8072 13.8829 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.8576 4.44694 5.51421 10.4545 8.41585 10.6104 8.401 5.99972 4.60206 12.0193 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.80849 4.98987 6.11056 13.9888 8.86116 10.4744 14.1707 8.60554 11.095 8.52463 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.80849 4.98987 6.11056 13.9888 8.86116 10.4744 6.3045 8.44664 4.04757 10.971 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.80849 4.98987 6.11056 13.9888 8.86116 10.4744 9.47767 9.44691 6.66757 13.4893 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 6.80849 4.98987 6.11056 10.1696 8.38394 6.9756 14.1707 8.60554 11.095 12.3994 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 6.80849 4.98987 6.11056 10.1696 8.38394 6.9756 6.3045 8.44664 4.04757 5.30734 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 6.80849 4.98987 6.11056 10.1696 8.38394 6.9756 9.47767 9.44691 6.66757 12.505 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 6.00307 8.65485 8.40051 7.95074 7.57578 13.466 6.03478 6.16347 4.32173 9.34396 numMergedOcc 0
9 mol 25 unq 1 iso 0 dist 6.00307 8.65485 8.40051 7.95074 7.57578 13.466 9.60684 7.92503 15.9662 6.11127 numMergedOcc 0
10 mol 25 unq 2 iso 0 dist 6.00307 8.65485 8.40051 10.3928 7.17969 14.4191 6.03478 6.16347 4.32173 10.8498 numMergedOcc 0
11 mol 25 unq 3 iso 0 dist 6.00307 8.65485 8.40051 10.3928 7.17969 14.4191 9.60684 7.92503 15.9662 5.30154 numMergedOcc 0
12 mol 41 unq 0 iso 0 dist 9.02927 10.7868 5.41493 14.1634 6.19529 5.09229 11.098 8.51663 4.08339 8.94326 numMergedOcc 0
13 mol 43 unq 0 iso 0 dist 8.47617 12.345 8.38387 15.1595 8.80331 11.0096 12.8271 8.95682 7.13085 6.18002 numMergedOcc 0
14 mol 43 unq 1 iso 0 dist 8.47617 12.345 8.38387 8.14351 6.20293 11.8286 12.8271 8.95682 7.13085 8.38399 numMergedOcc 0
15 mol 54 unq 0 iso 0 dist 6.13476 10.5752 5.97635 13.1047 9.5589 10.7219 9.53962 7.21717 11.5332 15.293 numMergedOcc 0
16 mol 54 unq 1 iso 0 dist 6.13476 10.5752 5.97635 10.0565 6.83299 6.76462 9.53962 7.21717 11.5332 13.86 numMergedOcc 0
17 mol 54 unq 2 iso 0 dist 6.13476 10.5752 5.97635 5.77448 8.10861 13.2619 9.53962 7.21717 11.5332 5.99981 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 4.31067 9.91645 5.9747 9.04817 5.08437 4.75138 9.0917 6.65501 7.43001 4.4057 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 4.31067 9.91645 5.9747 4.70157 6.48948 10.4417 9.0917 6.65501 7.43001 7.42446 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 4.31067 9.91645 5.9747 6.21302 6.10456 11.3628 9.0917 6.65501 7.43001 9.67482 numMergedOcc 0
21 mol 98 unq 3 iso 0 dist 4.31067 7.54723 4.50572 9.04817 5.08437 6.88489 9.0917 6.65501 9.5305 4.4057 numMergedOcc 0
22 mol 98 unq 4 iso 0 dist 4.31067 7.54723 4.50572 4.70157 6.48948 9.63267 9.0917 6.65501 9.5305 7.42446 numMergedOcc 0
23 mol 98 unq 5 iso 0 dist 4.31067 7.54723 4.50572 6.21302 6.10456 9.82583 9.0917 6.65501 9.5305 9.67482 numMergedOcc 0
24 mol 113 unq 0 iso 0 dist 8.29529 6.68968 8.89481 7.77295 5.86073 4.36935 5.89952 8.8822 11.2266 10.1816 numMergedOcc 0
25 mol 113 unq 1 iso 0 dist 8.29529 6.68968 8.89481 7.77295 5.86073 4.36935 5.58964 9.66219 9.01097 8.42718 numMergedOcc 0
26 mol 122 unq 0 iso 0 dist 8.054 4.79314 6.78949 9.57532 8.37808 7.54208 5.97096 8.88537 4.21285 5.0355 numMergedOcc 0
27 mol 122 unq 1 iso 0 dist 8.054 4.79314 6.78949 9.57532 8.37808 7.54208 4.4646 9.23819 6.93382 7.39059 numMergedOcc 0
28 mol 122 unq 2 iso 0 dist 8.054 5.45124 9.40018 9.57532 8.37808 11.0216 4.4646 9.23819 4.81033 7.39059 numMergedOcc 0
29 mol 122 unq 3 iso 0 dist 8.054 5.45124 9.40018 9.57532 8.37808 11.0216 5.97096 8.88537 9.33734 5.0355 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 6.29975 7.49664 9.3894 4.90674 6.5107 4.84607 5.42142 6.66772 11.5759 7.12976 numMergedOcc 0
31 mol 133 unq 1 iso 0 dist 6.29975 7.49664 9.3894 5.78974 9.52634 13.0836 5.42142 6.66772 11.5759 4.34568 numMergedOcc 0
32 mol 206 unq 0 iso 0 dist 7.94694 16.3384 9.36079 5.1071 7.7366 13.6173 8.91883 6.16414 10.9922 6.45859 numMergedOcc 0
33 mol 206 unq 1 iso 0 dist 7.94694 16.3384 9.36079 5.1071 7.7366 13.6173 8.83227 7.33701 9.89331 4.40897 numMergedOcc 0
34 mol 206 unq 2 iso 0 dist 7.94694 16.3384 9.36079 5.1071 7.7366 13.6173 10.6714 8.0871 8.83984 7.62219 numMergedOcc 0
35 mol 206 unq 3 iso 0 dist 7.94694 13.2408 7.42904 5.1071 7.7366 9.96254 8.91883 6.16414 8.16827 6.45859 numMergedOcc 0
36 mol 206 unq 4 iso 0 dist 7.94694 13.2408 7.42904 5.1071 7.7366 9.96254 8.83227 7.33701 6.06766 4.40897 numMergedOcc 0
37 mol 206 unq 5 iso 0 dist 7.94694 13.2408 7.42904 5.1071 7.7366 9.96254 10.6714 8.0871 5.82916 7.62219 numMergedOcc 0
38 mol 235 unq 0 iso 0 dist 8.84872 7.44501 9.11256 4.28841 5.4638 6.84447 9.6662 9.55668 3.93066 7.60081 numMergedOcc 0
39 mol 235 unq 1 iso 0 dist 8.84872 10.7196 7.08539 4.28841 5.4638 7.38431 9.6662 9.55668 13.0408 7.60081 numMergedOcc 0
