0 mol 32 unq 0 iso 0 dist 7.52145 5.26423 6.89423 12.2822 8.78511 12.9345 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 8.35776 14.188 6.89423 4.64437 8.78511 12.9345 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 7.12713 8.18746 8.99393 6.51519 5.4713 6.97552 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 6.29801 5.81115 4.5892 6.06978 9.21761 10.8503 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 8.39378 5.85616 4.5892 10.2073 9.21761 10.8503 numMergedOcc 0
5 mol 107 unq 0 iso 0 dist 4.99934 7.90448 9.4238 4.05182 5.31375 10.1677 numMergedOcc 0
6 mol 107 unq 1 iso 0 dist 4.99934 7.90448 9.4238 4.11617 6.49371 10.1326 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 8.89804 11.8656 7.62945 14.2573 9.34653 9.55695 numMergedOcc 0
8 mol 194 unq 0 iso 0 dist 9.3032 14.008 7.26295 10.739 4.45769 11.023 numMergedOcc 0
9 mol 194 unq 1 iso 0 dist 9.3032 14.008 7.26295 16.8793 8.99961 12.3736 numMergedOcc 0
10 mol 194 unq 2 iso 0 dist 8.10451 13.2027 7.26295 5.22745 4.45769 11.023 numMergedOcc 0
11 mol 194 unq 3 iso 0 dist 8.10451 13.2027 7.26295 4.77336 8.99961 12.3736 numMergedOcc 0
12 mol 194 unq 4 iso 0 dist 6.6747 13.2027 7.31316 5.22745 5.89939 11.023 numMergedOcc 0
13 mol 194 unq 5 iso 0 dist 6.6747 13.2027 7.31316 4.77336 8.18853 12.3736 numMergedOcc 0
14 mol 194 unq 6 iso 0 dist 6.6747 4.71471 8.9865 5.22745 5.89939 9.72284 numMergedOcc 0
15 mol 194 unq 7 iso 0 dist 6.6747 4.71471 8.9865 4.77336 8.18853 8.10284 numMergedOcc 0
16 mol 194 unq 8 iso 0 dist 6.28412 7.02856 7.31316 12.1687 5.89939 11.023 numMergedOcc 0
17 mol 194 unq 9 iso 0 dist 6.28412 7.02856 7.31316 13.0722 8.18853 12.3736 numMergedOcc 0
18 mol 194 unq 10 iso 0 dist 6.28412 12.3079 8.9865 12.1687 5.89939 9.72284 numMergedOcc 0
19 mol 194 unq 11 iso 0 dist 6.28412 12.3079 8.9865 13.0722 8.18853 8.10284 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 9.76929 6.01923 7.14918 8.16343 7.97504 6.96767 numMergedOcc 0
21 mol 252 unq 0 iso 0 dist 4.15692 5.5062 7.38867 8.3996 9.81261 8.846 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 9.98334 13.064 5.16266 8.66839 4.98693 5.03747 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 7.96707 16.9066 9.2144 14.1553 8.06767 9.11127 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 7.96707 16.9066 9.2144 4.60276 9.91087 18.3972 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 7.96707 16.9066 9.2144 14.1553 8.06767 9.11127 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 7.96707 16.9066 9.2144 4.60276 9.91087 18.3972 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 7.96707 16.9066 9.2144 14.1553 8.06767 9.11127 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 7.96707 16.9066 9.2144 4.60276 9.91087 18.3972 numMergedOcc 0
