0 mol 0 unq 0 iso 0 dist 9.42137 7.31837 5.24778 11.6896 9.6994 11.2072 14.5258 7.15528 11.2263 7.19817 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 9.42137 7.31837 5.24778 14.5258 7.15528 11.2263 11.6896 9.6994 11.2072 7.19817 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 5.97635 4.38047 4.29856 10.7219 9.5589 10.6808 6.76462 6.83299 6.14538 5.08001 numMergedOcc 0
3 mol 54 unq 0 iso 1 dist 5.97635 4.38047 4.29856 6.76462 6.83299 6.14538 10.7219 9.5589 10.6808 5.08001 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 5.97635 4.38047 4.29856 10.7219 9.5589 10.6808 13.2619 8.10861 10.4158 16.3192 numMergedOcc 0
5 mol 54 unq 1 iso 1 dist 5.97635 4.38047 4.29856 13.2619 8.10861 10.4158 10.7219 9.5589 10.6808 16.3192 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 5.97635 4.38047 4.29856 6.76462 6.83299 6.14538 13.2619 8.10861 10.4158 14.2075 numMergedOcc 0
7 mol 54 unq 1 iso 1 dist 5.97635 4.38047 4.29856 13.2619 8.10861 10.4158 6.76462 6.83299 6.14538 14.2075 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 9.65047 9.49995 11.4333 5.33325 7.27724 12.1092 5.69671 8.03644 9.49454 8.41707 numMergedOcc 0
9 mol 95 unq 0 iso 1 dist 9.65047 9.49995 11.4333 5.69671 8.03644 9.49454 5.33325 7.27724 12.1092 8.41707 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 5.9747 9.25249 14.3413 4.75138 5.08437 13.8815 10.4417 6.48948 17.8091 9.51923 numMergedOcc 0
11 mol 98 unq 0 iso 1 dist 5.9747 9.25249 14.3413 10.4417 6.48948 17.8091 4.75138 5.08437 13.8815 9.51923 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 5.9747 9.25249 14.3413 4.75138 5.08437 13.8815 11.3628 6.10456 19.9118 8.40073 numMergedOcc 0
13 mol 98 unq 1 iso 1 dist 5.9747 9.25249 14.3413 11.3628 6.10456 19.9118 4.75138 5.08437 13.8815 8.40073 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 5.9747 9.25249 14.3413 10.4417 6.48948 17.8091 11.3628 6.10456 19.9118 9.42358 numMergedOcc 0
15 mol 98 unq 1 iso 1 dist 5.9747 9.25249 14.3413 11.3628 6.10456 19.9118 10.4417 6.48948 17.8091 9.42358 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 7.15985 5.42828 5.39346 6.68714 9.60462 10.1861 6.71889 7.45389 10.15 7.05226 numMergedOcc 0
17 mol 112 unq 0 iso 1 dist 7.15985 5.42828 5.39346 6.71889 7.45389 10.15 6.68714 9.60462 10.1861 7.05226 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 4.98864 6.66022 5.22052 6.59772 6.11741 11.0224 10.9437 7.88312 12.13 7.69052 numMergedOcc 0
19 mol 115 unq 0 iso 1 dist 4.98864 6.66022 5.22052 10.9437 7.88312 12.13 6.59772 6.11741 11.0224 7.69052 numMergedOcc 0
20 mol 120 unq 0 iso 0 dist 7.04864 8.73484 8.2619 4.5543 8.75408 11.9051 6.81949 6.44653 13.082 5.23036 numMergedOcc 0
21 mol 120 unq 0 iso 1 dist 7.04864 8.73484 8.2619 6.81949 6.44653 13.082 4.5543 8.75408 11.9051 5.23036 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 5.82404 6.72323 4.54648 10.2385 6.29155 6.16242 4.64588 6.80239 5.87634 7.81217 numMergedOcc 0
23 mol 133 unq 0 iso 1 dist 5.82404 6.72323 4.54648 4.64588 6.80239 5.87634 10.2385 6.29155 6.16242 7.81217 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 5.82404 6.72323 4.54648 10.2385 6.29155 6.16242 5.37072 8.00618 10.9061 11.965 numMergedOcc 0
25 mol 133 unq 1 iso 1 dist 5.82404 6.72323 4.54648 5.37072 8.00618 10.9061 10.2385 6.29155 6.16242 11.965 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 5.82404 6.72323 4.54648 4.64588 6.80239 5.87634 5.37072 8.00618 10.9061 7.79672 numMergedOcc 0
27 mol 133 unq 1 iso 1 dist 5.82404 6.72323 4.54648 5.37072 8.00618 10.9061 4.64588 6.80239 5.87634 7.79672 numMergedOcc 0
28 mol 133 unq 2 iso 0 dist 5.86531 6.42904 5.92062 6.26797 7.11802 9.22661 9.73435 8.00618 13.5028 8.18495 numMergedOcc 0
29 mol 133 unq 2 iso 1 dist 5.86531 6.42904 5.92062 9.73435 8.00618 13.5028 6.26797 7.11802 9.22661 8.18495 numMergedOcc 0
30 mol 236 unq 0 iso 0 dist 6.11137 8.37813 9.52712 15.1664 9.99038 17.3964 9.01197 6.27581 12.6259 7.28249 numMergedOcc 0
31 mol 236 unq 0 iso 1 dist 6.11137 8.37813 9.52712 9.01197 6.27581 12.6259 15.1664 9.99038 17.3964 7.28249 numMergedOcc 0
32 mol 236 unq 1 iso 0 dist 6.11137 9.25988 4.79879 15.1664 9.99038 10.9744 9.01197 6.27581 9.73914 7.28249 numMergedOcc 0
33 mol 236 unq 1 iso 1 dist 6.11137 9.25988 4.79879 9.01197 6.27581 9.73914 15.1664 9.99038 10.9744 7.28249 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 5.73834 8.63176 5.63675 6.48867 6.60405 7.21311 7.52881 6.42289 11.2102 7.26417 numMergedOcc 0
35 mol 258 unq 0 iso 1 dist 5.73834 8.63176 5.63675 7.52881 6.42289 11.2102 6.48867 6.60405 7.21311 7.26417 numMergedOcc 0
