0 mol 9 unq 0 iso 0 dist 9.62394 5.60154 9.57198 6.85412 4.45625 9.29529 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.62394 5.60154 9.57198 6.33889 6.0397 7.2199 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 5.96346 8.05213 8.73067 10.0658 8.17605 5.43238 numMergedOcc 0
3 mol 11 unq 1 iso 0 dist 6.35398 7.85924 9.09091 9.53002 7.5901 5.43238 numMergedOcc 0
4 mol 27 unq 0 iso 0 dist 9.52474 7.50515 7.60283 12.4741 7.47886 8.11206 numMergedOcc 0
5 mol 32 unq 0 iso 0 dist 7.99969 6.68431 4.62858 8.68559 7.14527 7.48825 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 9.53378 5.54436 5.55096 9.43442 8.70414 8.59109 numMergedOcc 0
7 mol 45 unq 1 iso 0 dist 9.53378 5.54436 5.55096 11.2545 6.39184 8.13782 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 8.80614 6.47744 9.11258 12.4575 13.4366 6.96494 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 8.80614 6.47744 9.11258 9.58673 8.88332 7.01363 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 7.21955 6.75888 8.71468 8.26899 10.8421 8.80108 numMergedOcc 0
11 mol 58 unq 3 iso 0 dist 7.21955 6.75888 8.71468 11.3177 11.3634 6.50297 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 6.73347 5.33688 9.2902 8.24062 7.0313 6.5096 numMergedOcc 0
13 mol 64 unq 0 iso 0 dist 9.97159 5.3948 9.32552 11.9355 6.90629 8.4517 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 6.84011 5.31367 8.809 10.6048 6.76585 9.86739 numMergedOcc 0
15 mol 114 unq 1 iso 0 dist 6.84011 5.31367 8.809 10.3172 13.9603 9.49413 numMergedOcc 0
16 mol 114 unq 2 iso 0 dist 6.84011 8.88748 5.79343 10.6048 6.76585 8.39249 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 9.22661 4.68409 6.51868 14.0449 6.00607 9.94276 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 9.22661 4.68409 6.51868 13.5624 10.2267 9.05357 numMergedOcc 0
19 mol 133 unq 2 iso 0 dist 9.22661 4.68409 6.51868 9.65709 5.59913 5.99299 numMergedOcc 0
20 mol 133 unq 3 iso 0 dist 7.56378 4.68409 7.34698 14.0449 12.0514 9.94276 numMergedOcc 0
21 mol 133 unq 4 iso 0 dist 7.56378 4.68409 7.34698 13.5624 14.5639 9.05357 numMergedOcc 0
22 mol 133 unq 5 iso 0 dist 7.56378 4.68409 7.34698 9.65709 6.27692 5.99299 numMergedOcc 0
23 mol 155 unq 0 iso 0 dist 7.92304 6.34186 9.80845 7.36102 5.50045 7.37901 numMergedOcc 0
24 mol 155 unq 1 iso 0 dist 8.69157 5.48883 9.0529 9.87281 7.6506 6.51096 numMergedOcc 0
25 mol 155 unq 2 iso 0 dist 8.69157 5.48883 9.0529 8.27111 6.00473 8.73171 numMergedOcc 0
26 mol 155 unq 3 iso 0 dist 8.69157 8.78665 7.55196 13.1369 6.40403 7.37901 numMergedOcc 0
27 mol 155 unq 4 iso 0 dist 6.53347 9.36596 9.0529 12.0728 7.6506 6.51096 numMergedOcc 0
28 mol 155 unq 5 iso 0 dist 6.53347 9.36596 9.0529 10.6403 6.00473 8.73171 numMergedOcc 0
29 mol 155 unq 6 iso 0 dist 6.53347 5.40375 7.55196 7.39644 6.40403 7.37901 numMergedOcc 0
30 mol 156 unq 0 iso 0 dist 9.44367 7.29758 5.81122 9.36805 10.143 6.90155 numMergedOcc 0
31 mol 156 unq 1 iso 0 dist 7.90267 8.67156 5.81122 13.1853 10.143 6.90155 numMergedOcc 0
32 mol 175 unq 0 iso 0 dist 9.77896 7.5414 5.4997 11.3137 4.30489 4.79852 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 8.90963 8.25067 5.95304 6.94688 4.43678 8.20656 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 8.90963 8.25067 5.95304 6.71012 6.03415 9.40622 numMergedOcc 0
35 mol 181 unq 2 iso 0 dist 6.2479 6.25083 9.06217 13.2702 14.048 8.20656 numMergedOcc 0
36 mol 181 unq 3 iso 0 dist 6.2479 4.77278 7.13252 13.2702 14.048 9.40622 numMergedOcc 0
37 mol 181 unq 4 iso 0 dist 6.22122 10.5753 9.06217 14.8211 14.048 8.20656 numMergedOcc 0
38 mol 181 unq 5 iso 0 dist 6.22122 5.88819 7.13252 14.8211 14.048 9.40622 numMergedOcc 0
39 mol 181 unq 6 iso 0 dist 7.99195 5.86342 9.06217 10.8351 14.048 8.20656 numMergedOcc 0
40 mol 181 unq 7 iso 0 dist 7.99195 9.14057 7.13252 10.8351 14.048 9.40622 numMergedOcc 0
41 mol 224 unq 0 iso 0 dist 9.51597 7.67202 8.08737 8.19953 6.99977 4.55996 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 5.41321 6.43754 7.57454 12.3856 9.75331 7.95168 numMergedOcc 0
43 mol 234 unq 0 iso 0 dist 7.32499 5.9221 7.43663 6.16063 7.17691 8.49841 numMergedOcc 0
44 mol 234 unq 1 iso 0 dist 7.32499 5.9221 7.43663 11.4691 4.51304 9.6101 numMergedOcc 0
45 mol 234 unq 2 iso 0 dist 7.32499 13.2297 7.94068 11.4691 4.51304 5.32183 numMergedOcc 0
46 mol 235 unq 0 iso 0 dist 9.55668 4.65302 7.95766 10.7117 4.29892 7.27958 numMergedOcc 0
47 mol 235 unq 1 iso 0 dist 6.95126 6.43692 7.95766 5.65339 4.29892 7.27958 numMergedOcc 0
48 mol 238 unq 0 iso 0 dist 7.57812 5.11565 8.90076 10.924 13.3255 6.00721 numMergedOcc 0
49 mol 238 unq 1 iso 0 dist 9.24557 11.0401 8.90076 13.368 13.3255 6.00721 numMergedOcc 0
50 mol 238 unq 2 iso 0 dist 8.69104 5.11565 6.62002 10.924 9.71156 6.00721 numMergedOcc 0
51 mol 238 unq 3 iso 0 dist 8.94014 10.8635 7.04753 10.6978 4.38002 6.00721 numMergedOcc 0
52 mol 238 unq 4 iso 0 dist 7.02333 5.68826 7.04753 8.14172 4.38002 6.00721 numMergedOcc 0
53 mol 238 unq 5 iso 0 dist 8.67864 4.87097 7.04753 6.77463 4.38002 6.00721 numMergedOcc 0
54 mol 243 unq 0 iso 0 dist 7.49645 5.70464 7.12785 11.6922 4.78857 9.1101 numMergedOcc 0
55 mol 243 unq 1 iso 0 dist 7.49645 7.83758 6.66959 11.6922 4.78857 8.93338 numMergedOcc 0
56 mol 243 unq 2 iso 0 dist 9.9222 10.3961 7.12785 14.3564 4.78857 9.1101 numMergedOcc 0
57 mol 243 unq 3 iso 0 dist 9.9222 7.8399 6.66959 14.3564 4.78857 8.93338 numMergedOcc 0
