0 mol 7 unq 0 iso 0 dist 8.8576 8.401 5.99972 6.68629 7.78327 3.54153 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.13365 7.1011 7.33768 6.09311 7.49157 7.02381 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.13365 7.1011 7.33768 9.56533 7.73794 7.18485 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.13365 10.8208 9.01567 6.09311 7.49157 13.4969 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.13365 10.8208 9.01567 9.56533 7.73794 13.9252 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 8.13365 13.3998 7.29868 6.09311 7.49157 14.1137 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 8.13365 13.3998 7.29868 9.56533 7.73794 13.4584 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.47617 12.8271 8.95682 14.2755 9.02471 10.4863 numMergedOcc 0
8 mol 81 unq 0 iso 0 dist 8.07716 8.96904 5.65974 3.3881 5.51927 6.27606 numMergedOcc 0
9 mol 81 unq 1 iso 0 dist 5.78829 4.39576 5.65974 3.93741 5.51927 6.27606 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 4.31067 9.0917 6.65501 11.3701 7.92856 11.6496 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 8.29529 5.89952 8.8822 3.7042 7.02367 5.40648 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 8.29529 5.89952 8.8822 12.8999 9.30832 15.5674 numMergedOcc 0
13 mol 113 unq 2 iso 0 dist 8.29529 5.58964 9.66219 3.7042 7.02367 3.52111 numMergedOcc 0
14 mol 113 unq 3 iso 0 dist 8.29529 5.58964 9.66219 12.8999 9.30832 13.7232 numMergedOcc 0
15 mol 122 unq 0 iso 0 dist 8.054 5.97096 8.88537 10.2953 4.42563 8.90201 numMergedOcc 0
16 mol 122 unq 1 iso 0 dist 8.054 4.4646 9.23819 10.2953 4.42563 11.3935 numMergedOcc 0
17 mol 130 unq 0 iso 0 dist 7.94863 8.93581 7.96646 5.17954 5.92733 3.88766 numMergedOcc 0
18 mol 174 unq 0 iso 0 dist 6.90813 6.07412 8.87569 6.4785 5.61673 6.65209 numMergedOcc 0
19 mol 174 unq 1 iso 0 dist 6.90813 7.20832 9.87122 6.4785 5.61673 9.87207 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 9.98332 11.5325 6.34616 7.79482 6.77156 4.73496 numMergedOcc 0
21 mol 198 unq 1 iso 0 dist 9.98332 11.5325 6.34616 8.97088 7.97894 4.97547 numMergedOcc 0
22 mol 198 unq 2 iso 0 dist 9.98332 11.5325 6.34616 15.9886 8.08471 5.92533 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 6.04106 4.45301 5.44002 3.95968 7.13783 4.76454 numMergedOcc 0
24 mol 206 unq 0 iso 0 dist 7.94694 8.91883 6.16414 5.69659 4.51255 9.36584 numMergedOcc 0
25 mol 206 unq 1 iso 0 dist 7.94694 8.83227 7.33701 5.69659 4.51255 8.97305 numMergedOcc 0
26 mol 206 unq 2 iso 0 dist 7.94694 10.6714 8.0871 5.69659 4.51255 8.90838 numMergedOcc 0
27 mol 206 unq 3 iso 0 dist 7.51923 8.91883 7.75885 5.69659 6.23183 9.36584 numMergedOcc 0
28 mol 213 unq 0 iso 0 dist 7.22234 6.51731 7.37798 12.1593 8.82761 15.5804 numMergedOcc 0
29 mol 213 unq 1 iso 0 dist 7.22234 12.2528 7.73322 12.1593 8.82761 6.78109 numMergedOcc 0
30 mol 213 unq 2 iso 0 dist 5.86501 4.40169 7.37798 12.8419 8.82761 15.5804 numMergedOcc 0
31 mol 213 unq 3 iso 0 dist 5.86501 9.42696 7.73322 12.8419 8.82761 6.78109 numMergedOcc 0
32 mol 213 unq 4 iso 0 dist 8.48081 12.2528 8.14332 5.16198 9.09354 13.1121 numMergedOcc 0
33 mol 213 unq 5 iso 0 dist 8.48081 12.2528 8.14332 12.1593 4.66576 6.78109 numMergedOcc 0
34 mol 235 unq 0 iso 0 dist 8.84872 9.6662 9.55668 3.90737 8.08965 6.82702 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 6.51823 12.1252 8.67864 5.61713 6.46771 13.4894 numMergedOcc 0
36 mol 240 unq 0 iso 0 dist 7.0935 12.7219 6.68687 7.11037 5.77749 7.06594 numMergedOcc 0
37 mol 265 unq 0 iso 0 dist 7.83102 4.40079 6.71375 13.3937 9.28128 12.6979 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 7.11081 5.67549 8.87028 4.94483 9.96374 8.33171 numMergedOcc 0
39 mol 292 unq 1 iso 0 dist 7.11081 5.67549 8.87028 3.70851 5.41432 4.36814 numMergedOcc 0
