0 mol 9 unq 0 iso 0 dist 6.85412 5.60154 9.29529 9.62394 4.45625 9.57198 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 6.33889 5.60154 7.2199 9.62394 6.0397 9.57198 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.53002 7.85924 5.43238 6.35398 7.5901 9.09091 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 8.68559 6.68431 7.48825 7.99969 7.14527 4.62858 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 7.06308 9.01651 8.59109 10.862 8.70414 5.55096 numMergedOcc 0
5 mol 45 unq 1 iso 0 dist 6.34173 6.89191 8.59109 10.6216 8.70414 5.55096 numMergedOcc 0
6 mol 45 unq 2 iso 0 dist 9.43442 5.54436 8.59109 9.53378 8.70414 5.55096 numMergedOcc 0
7 mol 45 unq 3 iso 0 dist 9.20119 16.2375 8.13782 19.0256 9.85038 7.21995 numMergedOcc 0
8 mol 45 unq 4 iso 0 dist 9.20119 16.2375 8.13782 21.8182 13.1805 9.62637 numMergedOcc 0
9 mol 45 unq 5 iso 0 dist 6.99408 7.39653 8.13782 9.49841 6.39184 5.55096 numMergedOcc 0
10 mol 45 unq 6 iso 0 dist 9.3403 10.6095 8.13782 13.505 6.39184 5.55096 numMergedOcc 0
11 mol 48 unq 0 iso 0 dist 8.09058 4.84988 9.54797 11.8552 12.9941 7.34031 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 9.33535 6.78077 8.80108 13.2397 10.8421 8.71468 numMergedOcc 0
13 mol 58 unq 1 iso 0 dist 8.26899 6.75888 8.80108 7.21955 10.8421 8.71468 numMergedOcc 0
14 mol 58 unq 2 iso 0 dist 9.58673 6.47744 7.01363 8.80614 8.88332 9.11258 numMergedOcc 0
15 mol 59 unq 0 iso 0 dist 8.24062 5.33688 6.5096 6.73347 7.0313 9.2902 numMergedOcc 0
16 mol 114 unq 0 iso 0 dist 6.73814 12.1324 9.86739 9.39063 6.76585 8.809 numMergedOcc 0
17 mol 114 unq 1 iso 0 dist 6.73814 6.95201 8.39249 9.39063 6.76585 5.79343 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 7.76729 10.2377 6.40036 12.125 9.65908 7.52142 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 7.64585 10.7942 6.40036 13.3009 5.67953 7.70313 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 8.94837 5.9915 6.4218 11.2937 7.99114 6.21403 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 7.77454 10.7186 6.4218 14.5447 7.99114 6.21403 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 6.93652 7.57216 6.2135 9.79216 5.39904 5.52683 numMergedOcc 0
23 mol 141 unq 1 iso 0 dist 9.54444 6.96143 6.2135 11.7726 5.39904 5.52683 numMergedOcc 0
24 mol 155 unq 0 iso 0 dist 9.17284 6.3845 6.51096 10.9606 7.6506 9.0529 numMergedOcc 0
25 mol 155 unq 1 iso 0 dist 9.87281 5.48883 6.51096 8.69157 7.6506 9.0529 numMergedOcc 0
26 mol 155 unq 2 iso 0 dist 8.87452 5.77564 6.51096 10.8572 7.6506 9.0529 numMergedOcc 0
27 mol 155 unq 3 iso 0 dist 7.39644 5.40375 7.37901 11.1616 5.50045 9.80845 numMergedOcc 0
28 mol 155 unq 4 iso 0 dist 7.39644 5.40375 7.37901 6.53347 6.40403 7.55196 numMergedOcc 0
29 mol 155 unq 5 iso 0 dist 7.36102 6.34186 7.37901 7.92304 5.50045 9.80845 numMergedOcc 0
30 mol 155 unq 6 iso 0 dist 7.36102 6.34186 7.37901 10.3161 6.40403 7.55196 numMergedOcc 0
31 mol 155 unq 7 iso 0 dist 8.27111 5.48883 8.73171 8.69157 6.00473 9.0529 numMergedOcc 0
32 mol 155 unq 8 iso 0 dist 7.68368 5.77564 8.73171 10.8572 6.00473 9.0529 numMergedOcc 0
33 mol 156 unq 0 iso 0 dist 8.47155 9.30783 6.90155 13.5699 10.143 5.81122 numMergedOcc 0
34 mol 156 unq 1 iso 0 dist 9.36805 7.29758 6.90155 9.44367 10.143 5.81122 numMergedOcc 0
35 mol 156 unq 2 iso 0 dist 7.55203 4.53931 6.90155 10.3379 10.143 5.81122 numMergedOcc 0
36 mol 175 unq 0 iso 0 dist 9.31887 8.22779 4.79852 10.4182 4.30489 5.4997 numMergedOcc 0
37 mol 175 unq 1 iso 0 dist 9.31887 8.22779 4.79852 13.5281 4.57622 6.99693 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 6.94688 8.25067 8.20656 8.90963 4.43678 5.95304 numMergedOcc 0
39 mol 181 unq 1 iso 0 dist 6.71012 8.25067 9.40622 8.90963 6.03415 5.95304 numMergedOcc 0
40 mol 181 unq 2 iso 0 dist 9.6668 6.80228 8.20656 12.8533 14.048 9.06217 numMergedOcc 0
41 mol 181 unq 3 iso 0 dist 9.6668 11.6919 9.40622 12.8533 14.048 7.13252 numMergedOcc 0
42 mol 224 unq 0 iso 0 dist 8.19953 7.67202 4.55996 11.6901 6.09379 9.22384 numMergedOcc 0
43 mol 224 unq 1 iso 0 dist 8.19953 7.67202 4.55996 9.51597 6.99977 8.08737 numMergedOcc 0
44 mol 234 unq 0 iso 0 dist 6.16063 5.9221 8.49841 7.32499 7.17691 7.43663 numMergedOcc 0
45 mol 235 unq 0 iso 0 dist 5.65339 6.43692 7.27958 6.95126 4.29892 7.95766 numMergedOcc 0
46 mol 235 unq 1 iso 0 dist 8.21247 10.6981 7.27958 16.4912 10.1944 6.54825 numMergedOcc 0
47 mol 238 unq 0 iso 0 dist 8.14172 5.68826 6.00721 7.02333 4.38002 7.04753 numMergedOcc 0
48 mol 238 unq 1 iso 0 dist 6.77463 4.87097 6.00721 8.67864 4.38002 7.04753 numMergedOcc 0
49 mol 243 unq 0 iso 0 dist 8.61104 6.55284 9.1101 10.0978 4.78857 7.12785 numMergedOcc 0
50 mol 243 unq 1 iso 0 dist 8.61104 10.5389 8.93338 10.0978 4.78857 6.66959 numMergedOcc 0
51 mol 250 unq 0 iso 0 dist 8.80086 11.0402 7.88284 15.9848 9.48491 6.44252 numMergedOcc 0
52 mol 274 unq 0 iso 0 dist 6.50589 5.31116 8.49866 10.5387 11.0599 9.20749 numMergedOcc 0
