0 mol 11 unq 0 iso 0 dist 5.95165 7.95811 9.62262 3.77561 4.61088 10.604 6.50001 4.10106 6.56765 6.54358 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.88413 7.05148 5.30154 5.59268 7.17969 7.92503 8.27137 11.4148 11.0175 4.79873 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.88413 7.05148 5.30154 5.59268 7.17969 7.92503 13.4236 5.68041 10.2758 9.48085 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 9.87281 7.05148 5.64303 6.17631 7.31767 8.6653 12.3312 6.10919 10.8122 7.6114 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 7.63928 7.05148 5.82503 6.17631 6.03987 8.6653 12.3312 5.86705 10.8122 7.6114 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 9.65047 9.49995 11.4333 5.69671 8.03644 9.49454 12.0576 15.6249 15.7954 8.27883 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 9.65047 9.49995 11.4333 5.69671 8.03644 9.49454 10.4457 12.4896 10.4348 5.75428 numMergedOcc 0
7 mol 95 unq 2 iso 0 dist 9.65047 9.49995 11.4333 5.69671 8.03644 9.49454 9.70292 14.2178 5.88327 8.57395 numMergedOcc 0
8 mol 95 unq 3 iso 0 dist 9.65047 9.49995 11.4333 5.69671 8.03644 9.49454 9.59704 8.78079 3.96826 9.85409 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.9747 9.25249 14.3413 4.75138 5.08437 13.8815 8.3505 3.9764 17.4008 5.10496 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.9747 9.25249 14.3413 10.4417 6.48948 17.8091 8.3505 3.9764 17.4008 5.92242 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 5.9747 9.25249 14.3413 10.4417 6.48948 17.8091 7.34638 7.03983 11.5696 7.02507 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 5.9747 9.25249 14.3413 11.3628 6.10456 19.9118 14.2657 10.4782 23.5127 7.54889 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 5.9747 9.25249 14.3413 11.3628 6.10456 19.9118 8.3505 3.9764 17.4008 5.2571 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 4.98864 6.66022 5.22052 6.59772 6.11741 11.0224 9.47795 6.07067 10.1538 6.39384 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 4.98864 6.66022 5.22052 10.9437 7.88312 12.13 16.4805 11.835 14.889 7.69765 numMergedOcc 0
16 mol 115 unq 2 iso 0 dist 4.98864 6.66022 5.22052 10.9437 7.88312 12.13 9.47795 6.07067 10.1538 9.42082 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 5.86531 6.42904 5.92062 9.73435 8.00618 13.5028 13.1452 15.0115 19.114 8.77023 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 6.752 7.23557 5.8535 4.2475 7.45763 4.8668 6.41148 8.67921 9.86388 6.49765 numMergedOcc 0
19 mol 205 unq 1 iso 0 dist 5.4913 8.86587 5.8535 6.8901 7.45763 4.8668 5.06713 8.67921 9.86388 6.49765 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 9.29752 9.41148 12.5452 9.60401 8.27212 13.7227 12.6048 5.10213 14.876 6.71524 numMergedOcc 0
21 mol 232 unq 1 iso 0 dist 9.29752 7.83422 8.80479 9.60401 8.27212 9.05071 12.6048 5.10213 11.2243 6.71524 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 6.11137 8.37813 9.52712 9.01197 6.27581 12.6259 14.0625 10.5774 11.1617 9.3206 numMergedOcc 0
23 mol 236 unq 1 iso 0 dist 6.11137 9.25988 4.79879 9.01197 6.27581 9.73914 14.0625 10.5774 14.2227 9.3206 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 9.30668 6.68863 7.15683 8.04474 8.2734 11.4575 5.72473 7.8414 6.32259 7.20674 numMergedOcc 0
25 mol 292 unq 1 iso 0 dist 9.30668 6.68863 7.15683 8.04474 8.2734 11.4575 12.7549 14.179 15.433 8.38121 numMergedOcc 0
