0 mol 1 unq 0 iso 0 dist 6.06669 13.5153 8.69605 12.2868 6.2936 5.19589 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 5.44478 5.70264 8.15864 7.00079 8.18296 10.1802 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 5.44478 5.70264 8.15864 6.50215 7.99569 11.8349 numMergedOcc 0
3 mol 17 unq 0 iso 0 dist 9.54285 6.67987 9.5937 16.603 9.78918 14.6638 numMergedOcc 0
4 mol 17 unq 1 iso 0 dist 9.54285 6.67987 9.5937 11.5928 6.80314 12.7368 numMergedOcc 0
5 mol 17 unq 2 iso 0 dist 9.54285 9.81441 7.34681 16.603 9.78918 16.9932 numMergedOcc 0
6 mol 17 unq 3 iso 0 dist 9.54285 9.81441 7.34681 11.5928 6.80314 13.5569 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 6.57749 9.09097 6.12267 7.92725 7.41937 4.26531 numMergedOcc 0
8 mol 67 unq 1 iso 0 dist 6.57749 9.09097 6.12267 7.26324 6.07108 6.56501 numMergedOcc 0
9 mol 67 unq 2 iso 0 dist 6.57749 7.29064 8.43162 7.92725 7.41937 11.1043 numMergedOcc 0
10 mol 67 unq 3 iso 0 dist 6.57749 7.29064 8.43162 7.26324 6.07108 12.2002 numMergedOcc 0
11 mol 96 unq 0 iso 0 dist 9.21945 7.97622 8.9056 8.73932 9.46568 14.7866 numMergedOcc 0
12 mol 96 unq 1 iso 0 dist 5.5851 9.81613 8.9056 5.03448 9.46568 14.7866 numMergedOcc 0
13 mol 116 unq 0 iso 0 dist 8.74019 5.14974 6.53824 11.8091 9.2638 10.5909 numMergedOcc 0
14 mol 116 unq 1 iso 0 dist 8.74019 6.40614 6.61973 11.8091 9.2638 6.2875 numMergedOcc 0
15 mol 124 unq 0 iso 0 dist 6.31232 8.28232 7.18976 12.6015 9.18949 11.7124 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 7.48833 14.3839 9.52061 9.81728 7.32407 7.72162 numMergedOcc 0
17 mol 129 unq 1 iso 0 dist 7.48833 14.3839 9.52061 6.95825 6.48695 7.95267 numMergedOcc 0
18 mol 148 unq 0 iso 0 dist 8.60157 6.76353 8.6953 6.57631 6.86997 4.74651 numMergedOcc 0
19 mol 148 unq 1 iso 0 dist 8.60157 6.76353 8.6953 8.40891 7.46919 9.03832 numMergedOcc 0
20 mol 148 unq 2 iso 0 dist 8.60157 6.76353 8.6953 11.7674 8.24581 10.0113 numMergedOcc 0
21 mol 150 unq 0 iso 0 dist 8.59359 6.65519 8.65967 6.56068 6.79381 4.75241 numMergedOcc 0
22 mol 150 unq 1 iso 0 dist 8.59359 6.65519 8.65967 8.32178 7.36989 9.0892 numMergedOcc 0
23 mol 150 unq 2 iso 0 dist 8.59359 6.65519 8.65967 11.7699 8.17805 10.21 numMergedOcc 0
24 mol 158 unq 0 iso 0 dist 6.45502 13.5755 9.38856 7.33177 8.07946 9.75659 numMergedOcc 0
25 mol 158 unq 1 iso 0 dist 8.66056 12.9207 9.38856 11.4363 8.07946 9.75659 numMergedOcc 0
26 mol 162 unq 0 iso 0 dist 9.66591 13.3178 9.96586 9.42295 8.11292 4.05981 numMergedOcc 0
27 mol 174 unq 0 iso 0 dist 9.14165 9.23787 7.27146 10.4402 5.07761 4.80246 numMergedOcc 0
28 mol 174 unq 1 iso 0 dist 9.14165 4.98201 6.25798 10.4402 5.07761 9.44119 numMergedOcc 0
29 mol 204 unq 0 iso 0 dist 4.90334 7.84606 9.52029 8.72246 9.46973 4.29037 numMergedOcc 0
30 mol 204 unq 1 iso 0 dist 7.5696 9.55695 6.20044 11.801 9.23676 4.92804 numMergedOcc 0
31 mol 204 unq 2 iso 0 dist 7.5696 7.67211 8.41232 11.801 9.23676 5.04697 numMergedOcc 0
32 mol 220 unq 0 iso 0 dist 7.66083 6.48083 5.25149 6.43207 8.75712 10.8928 numMergedOcc 0
33 mol 220 unq 1 iso 0 dist 7.66083 6.54824 8.6368 6.43207 8.75712 4.03653 numMergedOcc 0
34 mol 226 unq 0 iso 0 dist 7.6174 5.92917 8.74399 8.00084 5.3747 7.20864 numMergedOcc 0
35 mol 252 unq 0 iso 0 dist 9.31855 11.2871 8.19645 7.27483 7.60896 4.35762 numMergedOcc 0
36 mol 272 unq 0 iso 0 dist 9.10712 7.57685 7.90763 5.22125 7.15093 3.93924 numMergedOcc 0
37 mol 282 unq 0 iso 0 dist 6.15396 5.668 5.00258 5.73412 7.84236 4.0078 numMergedOcc 0
38 mol 282 unq 1 iso 0 dist 6.15396 8.54733 9.98886 5.73412 7.84236 12.9261 numMergedOcc 0
39 mol 284 unq 0 iso 0 dist 5.62295 10.8669 7.74965 8.51351 4.87349 9.47092 numMergedOcc 0
40 mol 285 unq 0 iso 0 dist 8.73607 8.87977 7.872 5.37197 6.46935 9.75573 numMergedOcc 0
41 mol 285 unq 1 iso 0 dist 8.73607 9.91326 6.32984 5.37197 6.46935 5.78887 numMergedOcc 0
