0 mol 8 unq 0 iso 0 dist 9.68072 8.37509 12.7755 8.76702 9.62683 5.7343 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.68072 8.37509 12.7755 6.27477 7.08043 11.3728 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 7.63261 5.94326 10.0434 7.23594 6.47139 5.73846 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 8.27424 4.52881 8.70604 7.16036 8.93739 6.07691 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 6.4519 4.52881 5.23045 7.16036 6.65149 6.07691 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 8.99557 7.06922 14.0277 9.31319 15.919 6.3156 numMergedOcc 0
6 mol 46 unq 1 iso 0 dist 8.99557 7.06922 14.0277 8.2513 17.0196 5.37608 numMergedOcc 0
7 mol 52 unq 0 iso 0 dist 9.89949 8.49367 4.54634 7.68916 10.8037 12.5654 numMergedOcc 0
8 mol 89 unq 0 iso 0 dist 6.68154 5.37527 4.93796 8.89514 6.46605 10.5385 numMergedOcc 0
9 mol 99 unq 0 iso 0 dist 4.06171 6.24473 6.9006 8.5073 5.81348 6.27818 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 8.60361 6.13194 5.29056 5.94478 5.47085 7.24773 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 7.54666 7.04929 10.7924 9.78456 9.70821 5.10629 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 8.74464 6.30762 12.8661 9.64856 12.906 5.29246 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 8.74464 6.30762 12.8661 6.38977 5.6098 8.25445 numMergedOcc 0
14 mol 131 unq 2 iso 0 dist 8.74464 6.30762 12.8661 9.69757 4.29914 11.8349 numMergedOcc 0
15 mol 148 unq 0 iso 0 dist 8.6499 6.81055 5.13979 9.7168 12.8573 12.052 numMergedOcc 0
16 mol 148 unq 1 iso 0 dist 8.6499 6.81055 5.13979 7.38138 8.61198 5.2593 numMergedOcc 0
17 mol 150 unq 0 iso 0 dist 8.75339 6.77966 5.23046 9.61132 12.8265 11.9651 numMergedOcc 0
18 mol 150 unq 1 iso 0 dist 8.75339 6.77966 5.23046 7.34423 8.68422 5.1918 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 8.83021 9.11273 12.1018 8.08787 8.94975 7.9704 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 6.79839 4.58449 5.13031 7.96424 8.20031 10.7787 numMergedOcc 0
21 mol 220 unq 1 iso 0 dist 6.79839 4.58449 5.13031 5.40366 4.56064 5.78532 numMergedOcc 0
22 mol 220 unq 2 iso 0 dist 6.79839 4.58449 5.13031 8.93637 8.0303 6.24624 numMergedOcc 0
23 mol 220 unq 3 iso 0 dist 6.79839 7.03223 9.39591 7.96424 8.20031 10.48 numMergedOcc 0
24 mol 220 unq 4 iso 0 dist 6.79839 7.03223 9.39591 5.40366 4.56064 5.23846 numMergedOcc 0
25 mol 220 unq 5 iso 0 dist 6.79839 7.03223 9.39591 8.93637 8.0303 6.02282 numMergedOcc 0
26 mol 265 unq 0 iso 0 dist 8.50624 9.09556 13.152 5.81421 7.602 5.56416 numMergedOcc 0
27 mol 284 unq 0 iso 0 dist 9.00473 7.71744 5.34977 9.27402 4.45344 9.00582 numMergedOcc 0
28 mol 284 unq 1 iso 0 dist 9.00473 7.71744 5.34977 9.26573 5.88217 7.29392 numMergedOcc 0
29 mol 284 unq 2 iso 0 dist 9.00473 4.70976 4.80547 9.27402 4.45344 5.21448 numMergedOcc 0
30 mol 284 unq 3 iso 0 dist 9.00473 4.70976 4.80547 9.26573 5.88217 5.10189 numMergedOcc 0
