0 mol 11 unq 0 iso 0 dist 9.53002 4.30695 11.9464 8.01262 16.7805 6.03873 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.53002 4.30695 11.9464 6.58046 3.56133 8.84131 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 9.53002 6.35398 7.5901 8.01262 16.7805 12.9584 numMergedOcc 0
3 mol 11 unq 3 iso 0 dist 9.53002 6.35398 7.5901 6.58046 3.56133 6.51674 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 9.29358 5.89412 6.19131 8.4014 11.1793 5.69755 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 8.58657 6.41423 5.90856 7.7312 9.61438 5.31883 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 9.75144 7.33768 5.90981 7.49157 6.72423 7.02381 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 9.75144 7.33768 5.90981 7.73794 4.0664 7.18485 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 9.75144 9.01567 13.2265 7.49157 6.72423 13.4969 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 9.75144 9.01567 13.2265 7.73794 4.0664 13.9252 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 9.75144 7.29868 13.719 7.49157 6.72423 14.1137 numMergedOcc 0
11 mol 24 unq 5 iso 0 dist 9.75144 7.29868 13.719 7.73794 4.0664 13.4584 numMergedOcc 0
12 mol 25 unq 0 iso 0 dist 7.685 8.6653 12.9735 7.03372 4.60034 10.3493 numMergedOcc 0
13 mol 32 unq 0 iso 0 dist 8.68559 7.99969 7.14527 8.91596 4.84198 10.8132 numMergedOcc 0
14 mol 43 unq 0 iso 0 dist 9.83618 8.95682 4.54282 9.02471 10.4465 10.4863 numMergedOcc 0
15 mol 52 unq 0 iso 0 dist 7.18176 6.31696 6.29814 6.22221 6.35905 5.88357 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 8.26899 7.21955 10.8421 9.4278 13.4402 4.97525 numMergedOcc 0
17 mol 58 unq 1 iso 0 dist 8.63333 9.92355 12.0055 9.23438 4.43437 8.76454 numMergedOcc 0
18 mol 58 unq 2 iso 0 dist 8.89374 7.68678 12.0055 7.17488 4.43437 8.76454 numMergedOcc 0
19 mol 72 unq 0 iso 0 dist 6.77912 9.27838 4.67641 4.86198 10.4337 13.6186 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 7.13087 6.02816 6.93907 8.62079 15.7104 12.0718 numMergedOcc 0
21 mol 92 unq 0 iso 0 dist 7.96555 5.37007 6.85455 4.17838 4.07336 3.77771 numMergedOcc 0
22 mol 92 unq 1 iso 0 dist 8.36431 8.91313 10.2475 8.85601 11.3487 4.17255 numMergedOcc 0
23 mol 92 unq 2 iso 0 dist 8.36431 8.16392 6.94695 8.85601 11.3487 9.96839 numMergedOcc 0
24 mol 114 unq 0 iso 0 dist 8.71128 6.84011 9.23527 9.93438 5.80637 5.99273 numMergedOcc 0
25 mol 117 unq 0 iso 0 dist 7.20326 7.70232 9.79891 7.78789 6.69019 6.05048 numMergedOcc 0
26 mol 117 unq 1 iso 0 dist 7.20326 7.70232 9.79891 7.42146 4.18875 10.5934 numMergedOcc 0
27 mol 117 unq 2 iso 0 dist 7.20326 7.4671 9.97229 7.78789 6.69019 4.42665 numMergedOcc 0
28 mol 117 unq 3 iso 0 dist 7.20326 7.4671 9.97229 7.42146 4.18875 11.9806 numMergedOcc 0
29 mol 130 unq 0 iso 0 dist 6.79146 7.88805 6.08911 9.81269 9.6361 3.88766 numMergedOcc 0
30 mol 131 unq 0 iso 0 dist 6.91348 8.70296 9.93183 8.80895 6.25029 5.92118 numMergedOcc 0
31 mol 131 unq 1 iso 0 dist 6.91348 9.25558 5.90177 8.80895 6.25029 10.2176 numMergedOcc 0
32 mol 131 unq 2 iso 0 dist 9.51418 8.70296 16.5048 8.80895 13.4297 5.92118 numMergedOcc 0
33 mol 131 unq 3 iso 0 dist 9.51418 9.25558 5.70899 8.80895 13.4297 10.2176 numMergedOcc 0
34 mol 175 unq 0 iso 0 dist 9.52634 9.39352 7.60254 9.19156 16.559 11.8094 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 7.98142 5.94469 8.93991 8.29467 9.55459 3.63671 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 7.37327 5.94469 5.35588 8.29467 7.66761 3.63671 numMergedOcc 0
37 mol 184 unq 0 iso 0 dist 9.52936 6.42735 7.4793 9.84566 4.11581 5.05856 numMergedOcc 0
38 mol 184 unq 1 iso 0 dist 9.52936 6.42735 7.4793 8.22001 12.4034 5.69882 numMergedOcc 0
39 mol 194 unq 0 iso 0 dist 6.47873 8.65535 10.7231 9.52922 13.3106 3.7326 numMergedOcc 0
40 mol 213 unq 0 iso 0 dist 6.0965 7.37798 6.17282 8.82761 14.229 15.5804 numMergedOcc 0
41 mol 213 unq 1 iso 0 dist 6.0965 7.73322 10.5013 8.82761 14.229 6.78109 numMergedOcc 0
42 mol 213 unq 2 iso 0 dist 9.59129 7.37798 12.1116 8.82761 14.9475 15.5804 numMergedOcc 0
43 mol 213 unq 3 iso 0 dist 9.59129 7.73322 9.93085 8.82761 14.9475 6.78109 numMergedOcc 0
44 mol 218 unq 0 iso 0 dist 7.18041 6.1951 6.16211 6.1896 4.24855 5.34495 numMergedOcc 0
45 mol 218 unq 1 iso 0 dist 7.18041 6.1951 6.16211 6.09255 5.31276 3.83106 numMergedOcc 0
46 mol 218 unq 2 iso 0 dist 7.17547 6.1951 7.21048 6.1896 10.7049 5.34495 numMergedOcc 0
47 mol 218 unq 3 iso 0 dist 7.17547 6.1951 7.21048 6.09255 4.36581 3.83106 numMergedOcc 0
48 mol 219 unq 0 iso 0 dist 4.87541 7.59632 3.92926 9.64116 5.88671 8.27505 numMergedOcc 0
49 mol 222 unq 0 iso 0 dist 6.82208 7.67576 7.39748 5.1609 3.72064 3.98604 numMergedOcc 0
50 mol 222 unq 1 iso 0 dist 6.82208 9.82371 5.08928 5.1609 3.72064 7.99695 numMergedOcc 0
51 mol 235 unq 0 iso 0 dist 9.58736 9.55668 13.128 8.08965 14.2299 6.82702 numMergedOcc 0
52 mol 238 unq 0 iso 0 dist 6.05141 8.94014 11.5793 8.94231 3.94343 13.4894 numMergedOcc 0
53 mol 238 unq 1 iso 0 dist 8.14172 7.02333 4.38002 8.88652 12.0336 13.4894 numMergedOcc 0
54 mol 238 unq 2 iso 0 dist 8.09066 7.02333 11.5793 8.88652 3.94343 13.4894 numMergedOcc 0
55 mol 238 unq 3 iso 0 dist 6.77463 8.67864 4.38002 6.46771 12.0336 13.4894 numMergedOcc 0
56 mol 238 unq 4 iso 0 dist 7.2766 8.67864 11.5793 6.46771 3.94343 13.4894 numMergedOcc 0
57 mol 240 unq 0 iso 0 dist 6.15305 6.68687 9.66581 5.77749 6.06674 7.06594 numMergedOcc 0
58 mol 240 unq 1 iso 0 dist 8.0951 6.68687 7.03039 5.77749 5.24608 7.06594 numMergedOcc 0
