0 mol 2 unq 0 iso 0 dist 6.52386 14.1164 9.74371 10.3528 6.23988 9.08872 numMergedOcc 0
1 mol 4 unq 0 iso 0 dist 6.34563 6.82441 8.7041 14.0377 11.2643 9.84876 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 5.77374 9.33944 8.0166 8.57437 5.63739 9.32945 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 5.77374 9.33944 8.0166 12.5174 10.2796 9.90117 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 8.57437 9.33944 9.32945 5.77374 5.63739 8.0166 numMergedOcc 0
5 mol 7 unq 3 iso 0 dist 8.57437 9.33944 9.32945 12.5174 5.38328 9.90117 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 9.94799 8.40505 5.86972 11.7659 9.56267 7.55357 numMergedOcc 0
7 mol 61 unq 0 iso 0 dist 9.82315 9.53688 4.628 16.308 8.0979 8.30431 numMergedOcc 0
8 mol 61 unq 1 iso 0 dist 9.67403 8.24748 8.30431 9.7314 8.0979 4.628 numMergedOcc 0
9 mol 61 unq 2 iso 0 dist 7.28917 14.4616 8.30431 14.8891 8.0979 4.628 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.58346 7.53682 5.39171 9.10386 5.47475 9.27355 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 5.58346 7.53682 5.39171 10.4391 5.05066 8.60363 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 9.10386 7.53682 9.27355 5.58346 5.47475 5.39171 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 9.10386 7.53682 9.27355 10.4391 4.4628 8.60363 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 9.66744 14.7261 5.39171 10.8292 5.47475 9.27355 numMergedOcc 0
15 mol 73 unq 5 iso 0 dist 9.66744 14.7261 5.39171 10.9325 5.05066 8.60363 numMergedOcc 0
16 mol 86 unq 0 iso 0 dist 8.43093 8.44581 8.39046 15.8591 11.0575 8.39947 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 9.99537 6.18402 7.12199 13.6753 8.22066 7.90837 numMergedOcc 0
18 mol 92 unq 1 iso 0 dist 7.81131 4.24483 7.90837 10.4992 8.22066 7.12199 numMergedOcc 0
19 mol 92 unq 2 iso 0 dist 6.78043 8.6267 8.67865 16.908 14.4981 9.56884 numMergedOcc 0
20 mol 92 unq 3 iso 0 dist 6.78043 8.6267 8.67865 11.6391 10.1168 8.40148 numMergedOcc 0
21 mol 92 unq 4 iso 0 dist 5.74364 4.68995 8.67865 12.8843 14.4981 9.56884 numMergedOcc 0
22 mol 92 unq 5 iso 0 dist 5.74364 4.68995 8.67865 8.60026 10.1168 8.40148 numMergedOcc 0
23 mol 92 unq 6 iso 0 dist 8.60026 4.68995 8.40148 12.8843 7.79762 9.56884 numMergedOcc 0
24 mol 92 unq 7 iso 0 dist 8.60026 4.68995 8.40148 5.74364 10.1168 8.67865 numMergedOcc 0
25 mol 108 unq 0 iso 0 dist 5.52402 4.2179 9.32474 7.57593 6.45014 8.80334 numMergedOcc 0
26 mol 108 unq 1 iso 0 dist 7.57593 4.2179 8.80334 5.52402 6.45014 9.32474 numMergedOcc 0
27 mol 108 unq 2 iso 0 dist 6.79804 10.5919 9.32474 11.4269 6.45014 8.80334 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 6.85651 14.0828 7.50126 16.9398 11.0817 5.12189 numMergedOcc 0
29 mol 133 unq 1 iso 0 dist 7.03858 11.5586 7.50126 15.5532 11.0817 5.12189 numMergedOcc 0
30 mol 133 unq 2 iso 0 dist 5.68599 5.57746 5.12189 12.0133 11.0817 7.50126 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 9.49104 8.22726 5.33543 13.5964 5.63574 7.85526 numMergedOcc 0
32 mol 197 unq 0 iso 0 dist 5.79753 12.1167 8.51118 12.1601 7.28269 6.5 numMergedOcc 0
33 mol 197 unq 1 iso 0 dist 7.56537 5.79567 8.51118 9.89975 7.28269 6.5 numMergedOcc 0
34 mol 197 unq 2 iso 0 dist 9.89975 5.79567 6.5 7.56537 7.28269 8.51118 numMergedOcc 0
35 mol 201 unq 0 iso 0 dist 9.01464 3.81067 6.89479 10.4354 5.47215 9.79729 numMergedOcc 0
36 mol 205 unq 0 iso 0 dist 8.56656 12.3775 9.68829 15.5023 9.21051 9.085 numMergedOcc 0
37 mol 205 unq 1 iso 0 dist 9.32657 6.78359 9.89311 6.21409 6.26321 7.71155 numMergedOcc 0
38 mol 205 unq 2 iso 0 dist 6.21409 6.78359 7.71155 9.32657 6.26321 9.89311 numMergedOcc 0
39 mol 211 unq 0 iso 0 dist 7.38723 12.6613 9.8921 12.5211 8.59334 8.50841 numMergedOcc 0
40 mol 220 unq 0 iso 0 dist 8.65696 9.42128 8.98362 16.8043 13.3644 7.57716 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 9.91921 6.12122 6.74214 8.20243 4.85921 5.33462 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 8.20243 6.12122 5.33462 9.91921 4.85921 6.74214 numMergedOcc 0
43 mol 245 unq 0 iso 0 dist 8.91609 6.62389 6.41862 13.6298 10.9806 7.26913 numMergedOcc 0
44 mol 245 unq 1 iso 0 dist 8.91609 6.62389 6.41862 9.44131 6.22658 8.69377 numMergedOcc 0
45 mol 245 unq 2 iso 0 dist 6.58637 5.43086 6.41862 11.5225 10.9806 7.26913 numMergedOcc 0
46 mol 245 unq 3 iso 0 dist 6.58637 5.43086 6.41862 5.48167 6.22658 8.69377 numMergedOcc 0
47 mol 245 unq 4 iso 0 dist 5.48167 5.43086 8.69377 11.5225 12.3319 7.26913 numMergedOcc 0
48 mol 245 unq 5 iso 0 dist 5.48167 5.43086 8.69377 6.58637 6.22658 6.41862 numMergedOcc 0
49 mol 257 unq 0 iso 0 dist 8.9297 4.65989 6.51449 12.8791 11.6752 9.50221 numMergedOcc 0
50 mol 259 unq 0 iso 0 dist 7.97113 6.92619 8.91916 5.22111 4.70261 4.55368 numMergedOcc 0
51 mol 259 unq 1 iso 0 dist 5.22111 6.92619 4.55368 7.97113 4.70261 8.91916 numMergedOcc 0
52 mol 259 unq 2 iso 0 dist 8.38479 11.3266 8.91916 8.53598 4.70261 4.55368 numMergedOcc 0
53 mol 259 unq 3 iso 0 dist 8.53598 11.3266 4.55368 8.38479 4.70261 8.91916 numMergedOcc 0
54 mol 265 unq 0 iso 0 dist 8.22353 8.39994 9.56472 13.5163 10.1588 6.5072 numMergedOcc 0
55 mol 265 unq 1 iso 0 dist 8.22353 8.39994 9.56472 11.4849 13.1954 4.03921 numMergedOcc 0
56 mol 279 unq 0 iso 0 dist 4.75866 12.8228 9.98985 12.6949 8.47795 7.22295 numMergedOcc 0
57 mol 279 unq 1 iso 0 dist 7.87072 8.51381 9.98985 11.8078 8.47795 7.22295 numMergedOcc 0
58 mol 280 unq 0 iso 0 dist 8.01368 13.0497 9.05509 14.0687 6.17591 8.57733 numMergedOcc 0
59 mol 294 unq 0 iso 0 dist 8.82869 4.75799 5.76337 12.3449 4.46072 9.39625 numMergedOcc 0
60 mol 294 unq 1 iso 0 dist 8.82869 11.9879 8.60441 12.3449 4.46072 6.97558 numMergedOcc 0
