0 mol 4 unq 0 iso 0 dist 8.19615 8.36972 9.12428 5.93215 8.24634 5.12621 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 8.19615 8.36972 9.12428 11.0393 9.16617 14.8379 numMergedOcc 0
2 mol 4 unq 2 iso 0 dist 8.19615 8.36972 9.12428 8.61594 8.87255 15.2242 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 6.91948 8.87538 5.24341 8.67209 9.47063 10.2986 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 6.91948 7.86918 7.67661 8.67209 9.47063 11.7959 numMergedOcc 0
5 mol 17 unq 0 iso 0 dist 8.48453 11.8428 8.58312 12.9838 9.78331 4.47542 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 7.47827 8.92868 7.03536 3.98211 9.30539 11.1037 numMergedOcc 0
7 mol 91 unq 1 iso 0 dist 7.47827 8.92868 7.03536 6.76611 9.01176 4.43042 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 8.91837 5.98331 9.64641 10.5258 7.02927 14.3991 numMergedOcc 0
9 mol 109 unq 1 iso 0 dist 8.91837 5.98331 9.64641 5.61989 6.60933 6.25986 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 8.76613 6.87026 9.32858 5.45718 7.70232 10.8848 numMergedOcc 0
11 mol 117 unq 1 iso 0 dist 8.76613 6.87026 9.32858 6.25846 7.4671 9.26317 numMergedOcc 0
12 mol 122 unq 0 iso 0 dist 5.09114 10.1345 8.75778 10.5529 9.23819 10.8777 numMergedOcc 0
13 mol 122 unq 1 iso 0 dist 5.09114 10.1345 8.75778 9.32745 8.88537 6.78281 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 8.14071 14.3839 8.59695 9.81728 9.36851 7.72162 numMergedOcc 0
15 mol 129 unq 1 iso 0 dist 8.14071 14.3839 8.59695 6.95825 4.97175 7.95267 numMergedOcc 0
16 mol 129 unq 2 iso 0 dist 8.14071 11.9431 6.42706 9.81728 9.36851 13.0193 numMergedOcc 0
17 mol 129 unq 3 iso 0 dist 8.14071 11.9431 6.42706 6.95825 4.97175 8.03693 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 6.99089 11.5819 8.86784 10.0674 7.80532 12.3839 numMergedOcc 0
19 mol 155 unq 0 iso 0 dist 8.14907 6.14629 8.57712 7.76857 6.53347 10.7516 numMergedOcc 0
20 mol 176 unq 0 iso 0 dist 4.96326 5.80843 8.02366 5.19351 7.33273 6.49767 numMergedOcc 0
21 mol 176 unq 1 iso 0 dist 9.09976 11.7758 8.02366 7.10221 7.33273 6.49767 numMergedOcc 0
22 mol 176 unq 2 iso 0 dist 9.73567 15.4295 8.02366 10.2245 7.33273 6.49767 numMergedOcc 0
23 mol 182 unq 0 iso 0 dist 6.31492 13.278 9.06702 7.00671 6.73956 7.42577 numMergedOcc 0
24 mol 182 unq 1 iso 0 dist 6.31492 13.278 9.06702 11.1247 7.09394 4.49268 numMergedOcc 0
25 mol 182 unq 2 iso 0 dist 7.8621 10.2184 9.06702 9.23913 6.73956 7.42577 numMergedOcc 0
26 mol 182 unq 3 iso 0 dist 7.8621 10.2184 9.06702 5.77163 7.09394 4.49268 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 7.92766 13.46 9.44947 15.254 9.68728 4.29037 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 7.36642 11.1941 8.52924 10.098 6.03688 5.63231 numMergedOcc 0
29 mol 206 unq 0 iso 0 dist 8.59262 10.9563 8.95375 14.201 7.75885 11.6019 numMergedOcc 0
30 mol 206 unq 1 iso 0 dist 8.59262 12.1002 9.29007 14.201 7.75885 6.64436 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 7.2527 14.3699 8.6771 10.0472 7.57812 6.12869 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 7.2527 14.3699 8.6771 10.0651 8.69104 9.81372 numMergedOcc 0
33 mol 238 unq 2 iso 0 dist 9.29203 15.9724 8.6771 13.6806 7.57812 6.12869 numMergedOcc 0
34 mol 238 unq 3 iso 0 dist 9.29203 15.9724 8.6771 16.2617 8.69104 9.81372 numMergedOcc 0
35 mol 249 unq 0 iso 0 dist 6.42827 10.249 6.26142 5.74889 5.48118 9.55793 numMergedOcc 0
