0 mol 11 unq 0 iso 0 dist 6.84216 8.05213 4.79838 10.0658 3.66215 5.43238 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.58046 7.85924 5.25331 9.53002 3.56133 5.43238 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.91596 7.93694 5.9972 8.68559 4.84198 7.18766 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 8.27463 5.67689 9.44125 9.20119 3.82801 8.59109 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 7.15542 4.84988 8.44353 8.09058 5.59994 9.54797 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 8.89047 4.84988 6.11249 8.09058 7.78417 9.54797 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 8.89003 4.84988 7.86326 8.09058 5.47187 9.54797 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 7.4785 5.98837 5.48837 10.335 6.11446 8.80108 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 7.4785 11.0512 9.15753 15.9764 11.3972 6.96494 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 7.4785 11.0512 9.15753 10.335 6.11446 6.50297 numMergedOcc 0
10 mol 58 unq 3 iso 0 dist 8.34191 4.55117 8.88313 6.40841 3.8375 8.80108 numMergedOcc 0
11 mol 58 unq 4 iso 0 dist 8.34191 5.64209 7.07522 10.9482 5.87305 6.96494 numMergedOcc 0
12 mol 58 unq 5 iso 0 dist 8.34191 5.64209 7.07522 6.40841 3.8375 6.50297 numMergedOcc 0
13 mol 58 unq 6 iso 0 dist 6.39747 4.55117 5.48837 6.40841 6.11446 8.80108 numMergedOcc 0
14 mol 58 unq 7 iso 0 dist 6.39747 5.64209 9.15753 10.9482 11.3972 6.96494 numMergedOcc 0
15 mol 58 unq 8 iso 0 dist 6.39747 5.64209 9.15753 6.40841 6.11446 6.50297 numMergedOcc 0
16 mol 58 unq 9 iso 0 dist 9.23438 5.92889 8.98478 8.63333 4.43437 7.01363 numMergedOcc 0
17 mol 58 unq 10 iso 0 dist 7.17488 7.05413 8.98478 8.89374 4.43437 7.01363 numMergedOcc 0
18 mol 58 unq 11 iso 0 dist 6.79356 6.61756 8.98478 6.46761 4.43437 7.01363 numMergedOcc 0
19 mol 88 unq 0 iso 0 dist 9.07128 5.90098 6.1847 8.66514 3.99025 7.71582 numMergedOcc 0
20 mol 88 unq 1 iso 0 dist 9.07128 5.90098 6.1847 9.25235 6.08504 6.65776 numMergedOcc 0
21 mol 88 unq 2 iso 0 dist 6.65615 5.90098 4.70557 8.66514 6.69123 7.71582 numMergedOcc 0
22 mol 88 unq 3 iso 0 dist 6.65615 5.90098 4.70557 9.25235 3.77436 6.65776 numMergedOcc 0
23 mol 88 unq 4 iso 0 dist 5.07548 4.58465 4.70557 10.6733 6.69123 7.71582 numMergedOcc 0
24 mol 88 unq 5 iso 0 dist 5.07548 4.58465 4.70557 8.69012 3.77436 6.65776 numMergedOcc 0
25 mol 114 unq 0 iso 0 dist 9.93438 9.2907 9.26486 8.71128 5.80637 7.36816 numMergedOcc 0
26 mol 114 unq 1 iso 0 dist 9.93438 8.88748 7.93956 10.6048 12.4143 8.39249 numMergedOcc 0
27 mol 127 unq 0 iso 0 dist 5.39356 4.77464 7.79077 8.59981 6.92548 6.3244 numMergedOcc 0
28 mol 127 unq 1 iso 0 dist 5.01504 7.11695 7.79077 7.66331 6.92548 6.3244 numMergedOcc 0
29 mol 127 unq 2 iso 0 dist 6.80627 9.79266 7.79077 11.7596 6.92548 6.3244 numMergedOcc 0
30 mol 141 unq 0 iso 0 dist 7.46621 7.57216 6.40751 15.487 10.3318 8.55681 numMergedOcc 0
31 mol 141 unq 1 iso 0 dist 7.46621 7.57216 6.40751 6.93652 5.72856 6.2135 numMergedOcc 0
32 mol 175 unq 0 iso 0 dist 9.32259 13.909 7.6077 14.5006 6.54263 6.74517 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 9.70481 5.88819 7.61421 14.8211 10.4087 9.40622 numMergedOcc 0
34 mol 218 unq 0 iso 0 dist 6.09255 4.54272 9.39609 7.17547 4.36581 8.57853 numMergedOcc 0
35 mol 218 unq 1 iso 0 dist 7.84952 7.47048 8.5244 10.9531 13.6229 8.57853 numMergedOcc 0
36 mol 218 unq 2 iso 0 dist 7.84952 7.47048 8.5244 8.53199 6.19774 6.75035 numMergedOcc 0
37 mol 228 unq 0 iso 0 dist 9.25785 4.81881 8.29523 9.42615 5.63283 7.46689 numMergedOcc 0
38 mol 228 unq 1 iso 0 dist 9.25785 4.81881 8.29523 8.06181 3.65229 8.37287 numMergedOcc 0
39 mol 228 unq 2 iso 0 dist 9.01231 4.75417 8.13557 7.77367 3.62742 8.07174 numMergedOcc 0
40 mol 228 unq 3 iso 0 dist 9.01231 4.75417 8.13557 9.06121 5.34726 7.09766 numMergedOcc 0
41 mol 235 unq 0 iso 0 dist 8.08965 4.65302 9.11149 10.7117 9.32678 7.27958 numMergedOcc 0
