0 mol 7 unq 0 iso 0 dist 8.77133 5.0893 6.36911 6.15313 9.97624 5.03847 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.77133 15.8567 9.36807 6.15313 9.97624 13.8829 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 6.35021 9.68915 9.53002 12.8869 8.73067 10.9183 numMergedOcc 0
3 mol 15 unq 0 iso 0 dist 9.11751 6.78983 9.29358 7.11548 6.50647 9.75966 numMergedOcc 0
4 mol 39 unq 0 iso 0 dist 9.83017 12.1709 7.45237 9.82078 6.47855 7.401 numMergedOcc 0
5 mol 39 unq 1 iso 0 dist 5.1736 8.11238 7.45237 6.8989 6.47855 7.401 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 9.9648 9.07666 8.63333 4.92118 9.11258 10.2049 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 9.9648 5.93193 8.89374 4.92118 9.11258 5.49591 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 9.9648 5.72191 6.46761 4.92118 9.11258 5.85698 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 9.9648 10.3384 9.73139 4.92118 9.11258 12.2123 numMergedOcc 0
10 mol 64 unq 0 iso 0 dist 5.1488 5.9853 8.68586 8.95689 9.32552 6.21578 numMergedOcc 0
11 mol 64 unq 1 iso 0 dist 5.1488 6.43864 9.54144 8.95689 9.32552 11.4485 numMergedOcc 0
12 mol 70 unq 0 iso 0 dist 6.22308 9.37982 8.33704 9.90132 9.48582 6.50609 numMergedOcc 0
13 mol 70 unq 1 iso 0 dist 6.22308 5.43139 7.92394 9.90132 9.48582 8.34216 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 6.96647 4.78435 8.70133 5.00474 7.10439 5.11416 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 6.96647 4.60412 5.64598 5.00474 7.10439 8.44406 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 6.96647 6.33833 4.65521 5.00474 7.10439 6.56633 numMergedOcc 0
17 mol 87 unq 0 iso 0 dist 9.53368 5.30415 7.51358 4.99645 7.2268 5.95671 numMergedOcc 0
18 mol 87 unq 1 iso 0 dist 9.53368 5.30415 7.51358 6.39199 9.69219 4.33593 numMergedOcc 0
19 mol 87 unq 2 iso 0 dist 9.53368 11.2095 8.32298 4.99645 7.2268 7.93998 numMergedOcc 0
20 mol 87 unq 3 iso 0 dist 9.53368 11.2095 8.32298 6.39199 9.69219 6.09884 numMergedOcc 0
21 mol 87 unq 4 iso 0 dist 6.54532 5.30415 8.93296 5.42671 9.28624 9.9869 numMergedOcc 0
22 mol 87 unq 5 iso 0 dist 6.54532 5.30415 8.93296 4.99645 8.31175 5.95671 numMergedOcc 0
23 mol 87 unq 6 iso 0 dist 9.64421 14.9517 7.51358 10.6701 7.2268 5.95671 numMergedOcc 0
24 mol 87 unq 7 iso 0 dist 9.64421 14.9517 7.51358 14.3657 9.69219 4.33593 numMergedOcc 0
25 mol 87 unq 8 iso 0 dist 9.64421 11.9144 8.32298 10.6701 7.2268 7.93998 numMergedOcc 0
26 mol 87 unq 9 iso 0 dist 9.64421 11.9144 8.32298 14.3657 9.69219 6.09884 numMergedOcc 0
27 mol 87 unq 10 iso 0 dist 6.72471 10.4977 7.51358 7.79329 7.2268 5.95671 numMergedOcc 0
28 mol 87 unq 11 iso 0 dist 6.72471 10.4977 7.51358 9.7513 9.69219 4.33593 numMergedOcc 0
29 mol 87 unq 12 iso 0 dist 6.72471 6.12372 8.32298 7.79329 7.2268 7.93998 numMergedOcc 0
30 mol 87 unq 13 iso 0 dist 6.72471 6.12372 8.32298 9.7513 9.69219 6.09884 numMergedOcc 0
31 mol 113 unq 0 iso 0 dist 9.20053 13.4385 6.81812 6.30715 7.33541 9.76608 numMergedOcc 0
32 mol 114 unq 0 iso 0 dist 6.06039 5.0333 6.73814 11.1547 9.83981 13.7032 numMergedOcc 0
33 mol 126 unq 0 iso 0 dist 8.62574 12.3787 7.75534 9.50242 7.36017 6.0268 numMergedOcc 0
34 mol 126 unq 1 iso 0 dist 8.62574 12.3787 7.75534 4.61044 5.14819 8.01268 numMergedOcc 0
35 mol 126 unq 2 iso 0 dist 8.62574 12.3787 7.75534 6.44454 6.84245 10.2072 numMergedOcc 0
36 mol 126 unq 3 iso 0 dist 8.62574 10.0564 9.06011 9.50242 7.36017 10.1326 numMergedOcc 0
37 mol 126 unq 4 iso 0 dist 8.62574 10.0564 9.06011 4.61044 5.14819 6.51507 numMergedOcc 0
38 mol 126 unq 5 iso 0 dist 8.62574 10.0564 9.06011 6.44454 6.84245 5.78149 numMergedOcc 0
39 mol 133 unq 0 iso 0 dist 7.46812 11.0256 7.92688 9.68947 6.51868 5.92062 numMergedOcc 0
40 mol 133 unq 1 iso 0 dist 7.46812 11.0256 7.92688 5.10826 7.34698 6.61891 numMergedOcc 0
41 mol 173 unq 0 iso 0 dist 9.71921 4.98931 7.93331 4.24035 8.41245 6.14414 numMergedOcc 0
42 mol 173 unq 1 iso 0 dist 9.71921 4.98931 7.93331 5.66096 6.64779 4.72839 numMergedOcc 0
43 mol 173 unq 2 iso 0 dist 9.71921 7.47584 6.98095 4.24035 8.41245 5.27321 numMergedOcc 0
44 mol 173 unq 3 iso 0 dist 9.71921 7.47584 6.98095 5.66096 6.64779 8.07089 numMergedOcc 0
45 mol 173 unq 4 iso 0 dist 9.71921 9.50929 8.31897 4.24035 8.41245 10.8609 numMergedOcc 0
46 mol 173 unq 5 iso 0 dist 9.71921 9.50929 8.31897 5.66096 6.64779 5.70743 numMergedOcc 0
47 mol 181 unq 0 iso 0 dist 5.89833 6.4322 9.6668 5.51195 5.95304 9.34211 numMergedOcc 0
48 mol 181 unq 1 iso 0 dist 7.39743 5.38569 7.37327 9.06982 8.9289 5.63555 numMergedOcc 0
49 mol 188 unq 0 iso 0 dist 6.02957 6.90449 6.90541 5.01686 9.33696 10.5721 numMergedOcc 0
50 mol 232 unq 0 iso 0 dist 9.94653 10.8978 7.07392 5.0625 7.10413 6.2188 numMergedOcc 0
51 mol 232 unq 1 iso 0 dist 9.94653 10.9318 9.62952 5.0625 7.10413 6.09015 numMergedOcc 0
52 mol 232 unq 2 iso 0 dist 7.97572 10.4487 7.07392 4.86592 7.10413 6.2188 numMergedOcc 0
53 mol 232 unq 3 iso 0 dist 7.97572 9.66136 9.62952 4.86592 7.10413 6.09015 numMergedOcc 0
54 mol 294 unq 0 iso 0 dist 9.13209 5.15462 7.34205 8.55409 8.87606 10.808 numMergedOcc 0
