0 mol 11 unq 0 iso 0 dist 9.53002 8.01262 16.7805 7.85924 5.43238 15.2717 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.53002 6.58046 3.56133 7.85924 5.43238 5.25331 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 7.12903 8.28153 4.25929 5.55659 8.96967 11.7266 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 8.68559 8.91596 4.84198 7.93694 7.18766 5.9972 numMergedOcc 0
4 mol 32 unq 1 iso 0 dist 8.68559 8.91596 4.84198 6.68431 7.48825 10.9253 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 9.20119 8.27463 3.82801 5.67689 8.59109 9.44125 numMergedOcc 0
6 mol 45 unq 1 iso 0 dist 9.20119 8.27463 3.82801 16.2375 8.13782 11.5526 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 8.09058 7.15542 5.59994 4.84988 9.54797 8.44353 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 8.09058 8.89047 7.78417 4.84988 9.54797 6.11249 numMergedOcc 0
9 mol 48 unq 2 iso 0 dist 8.09058 8.89003 5.47187 4.84988 9.54797 7.86326 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 8.26899 9.4278 13.4402 6.75888 8.80108 13.2217 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 6.40841 8.34191 3.8375 4.55117 8.80108 8.88313 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 6.40841 8.34191 3.8375 5.64209 6.50297 7.07522 numMergedOcc 0
13 mol 58 unq 3 iso 0 dist 6.40841 6.39747 6.11446 4.55117 8.80108 5.48837 numMergedOcc 0
14 mol 58 unq 4 iso 0 dist 6.40841 6.39747 6.11446 5.64209 6.50297 9.15753 numMergedOcc 0
15 mol 58 unq 5 iso 0 dist 8.63333 9.23438 4.43437 10.6476 6.96494 11.1006 numMergedOcc 0
16 mol 58 unq 6 iso 0 dist 8.63333 9.23438 4.43437 5.92889 7.01363 8.98478 numMergedOcc 0
17 mol 58 unq 7 iso 0 dist 8.89374 7.17488 4.43437 12.7331 6.96494 11.1006 numMergedOcc 0
18 mol 58 unq 8 iso 0 dist 8.89374 7.17488 4.43437 7.05413 7.01363 8.98478 numMergedOcc 0
19 mol 58 unq 9 iso 0 dist 6.46761 6.79356 4.43437 8.74789 6.96494 11.1006 numMergedOcc 0
20 mol 58 unq 10 iso 0 dist 6.46761 6.79356 4.43437 6.61756 7.01363 8.98478 numMergedOcc 0
21 mol 58 unq 11 iso 0 dist 7.58407 6.79356 9.59066 14.7581 8.80108 17.1013 numMergedOcc 0
22 mol 58 unq 12 iso 0 dist 7.58407 6.79356 9.59066 8.74789 6.50297 11.1006 numMergedOcc 0
23 mol 72 unq 0 iso 0 dist 8.624 8.26541 10.4337 6.00418 9.19459 10.3769 numMergedOcc 0
24 mol 72 unq 1 iso 0 dist 6.77912 4.86198 10.4337 9.0131 9.19459 10.3769 numMergedOcc 0
25 mol 88 unq 0 iso 0 dist 8.66514 9.07128 3.99025 5.90098 7.71582 6.1847 numMergedOcc 0
26 mol 88 unq 1 iso 0 dist 8.66514 6.65615 6.69123 5.90098 7.71582 4.70557 numMergedOcc 0
27 mol 88 unq 2 iso 0 dist 9.25235 9.07128 6.08504 5.90098 6.65776 6.1847 numMergedOcc 0
28 mol 88 unq 3 iso 0 dist 9.25235 6.65615 3.77436 5.90098 6.65776 4.70557 numMergedOcc 0
29 mol 114 unq 0 iso 0 dist 8.71128 9.93438 5.80637 9.2907 7.36816 9.26486 numMergedOcc 0
30 mol 127 unq 0 iso 0 dist 8.59981 5.39356 6.92548 4.77464 6.3244 7.79077 numMergedOcc 0
31 mol 127 unq 1 iso 0 dist 8.59981 9.92746 16.8777 4.77464 6.3244 14.5349 numMergedOcc 0
32 mol 127 unq 2 iso 0 dist 7.66331 5.01504 6.92548 7.11695 6.3244 7.79077 numMergedOcc 0
33 mol 141 unq 0 iso 0 dist 6.93652 7.46621 5.72856 7.57216 6.2135 6.40751 numMergedOcc 0
34 mol 213 unq 0 iso 0 dist 9.59129 8.82761 14.9475 12.2579 8.74171 11.9668 numMergedOcc 0
35 mol 218 unq 0 iso 0 dist 7.17547 6.1896 10.7049 4.54272 8.57853 10.3208 numMergedOcc 0
36 mol 218 unq 1 iso 0 dist 7.17547 6.1896 10.7049 10.2673 6.75035 15.6032 numMergedOcc 0
37 mol 218 unq 2 iso 0 dist 7.17547 6.09255 4.36581 4.54272 8.57853 9.39609 numMergedOcc 0
38 mol 218 unq 3 iso 0 dist 7.17547 6.09255 4.36581 10.2673 6.75035 10.5989 numMergedOcc 0
39 mol 218 unq 4 iso 0 dist 8.53199 7.84952 6.19774 7.47048 6.75035 8.5244 numMergedOcc 0
40 mol 228 unq 0 iso 0 dist 9.42615 9.25785 5.63283 4.81881 7.46689 8.29523 numMergedOcc 0
41 mol 228 unq 1 iso 0 dist 8.06181 9.25785 3.65229 4.81881 8.37287 8.29523 numMergedOcc 0
42 mol 228 unq 2 iso 0 dist 7.77367 9.01231 3.62742 4.75417 8.07174 8.13557 numMergedOcc 0
43 mol 228 unq 3 iso 0 dist 9.06121 9.01231 5.34726 4.75417 7.09766 8.13557 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 8.14172 8.88652 12.0336 5.68826 6.00721 11.209 numMergedOcc 0
45 mol 238 unq 1 iso 0 dist 6.77463 6.46771 12.0336 4.87097 6.00721 11.209 numMergedOcc 0
46 mol 258 unq 0 iso 0 dist 6.49982 8.03012 6.93346 5.95565 7.16259 11.2924 numMergedOcc 0
47 mol 270 unq 0 iso 0 dist 8.25349 8.86399 5.8989 10.1677 9.16073 14.4371 numMergedOcc 0
48 mol 270 unq 1 iso 0 dist 8.25349 8.86399 5.8989 10.4895 8.39167 12.1579 numMergedOcc 0
