0 mol 11 unq 0 iso 0 dist 9.53002 7.85924 5.43238 10.7048 4.79838 3.66215 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 7.06308 9.01651 8.59109 9.89212 9.44125 3.82801 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 6.34173 6.89191 8.59109 5.84319 9.44125 3.82801 numMergedOcc 0
3 mol 45 unq 2 iso 0 dist 9.43442 5.54436 8.59109 6.16709 9.44125 3.82801 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.09058 4.84988 9.54797 3.63758 7.03832 5.67204 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 8.09058 4.84988 9.54797 6.88863 7.16443 4.28224 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 9.33535 6.78077 8.80108 4.63196 8.88313 3.8375 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 9.33535 6.78077 8.80108 4.57635 5.48837 6.11446 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 8.26899 6.75888 8.80108 8.44881 8.88313 3.8375 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 8.26899 6.75888 8.80108 4.25144 5.48837 6.11446 numMergedOcc 0
10 mol 58 unq 4 iso 0 dist 9.58673 6.47744 7.01363 4.59417 8.98478 4.43437 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 8.68821 4.77056 7.36816 10.5728 9.26486 5.80637 numMergedOcc 0
12 mol 114 unq 1 iso 0 dist 7.12609 5.31865 7.36816 5.74761 9.26486 5.80637 numMergedOcc 0
13 mol 114 unq 2 iso 0 dist 6.96442 5.37729 8.87941 4.97363 5.96977 7.85173 numMergedOcc 0
14 mol 127 unq 0 iso 0 dist 6.192 8.00931 6.3244 7.10019 9.70065 10.1788 numMergedOcc 0
15 mol 127 unq 1 iso 0 dist 7.69308 6.85862 6.3244 3.51923 9.70065 10.1788 numMergedOcc 0
16 mol 127 unq 2 iso 0 dist 8.59981 4.77464 6.3244 14.8455 9.70065 10.1788 numMergedOcc 0
17 mol 127 unq 3 iso 0 dist 7.66331 7.11695 6.3244 14.6454 9.70065 10.1788 numMergedOcc 0
18 mol 127 unq 4 iso 0 dist 9.81878 14.085 6.3244 12.7606 7.79077 6.92548 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 6.93652 7.57216 6.2135 6.75624 9.75587 5.09294 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 9.54444 6.96143 6.2135 3.80599 9.75587 5.09294 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 6.71012 8.25067 9.40622 11.618 7.61421 10.4087 numMergedOcc 0
22 mol 213 unq 0 iso 0 dist 8.45368 11.1059 8.74171 9.90805 7.77553 8.90887 numMergedOcc 0
23 mol 213 unq 1 iso 0 dist 9.59129 12.2579 8.74171 4.67313 7.77553 8.90887 numMergedOcc 0
24 mol 218 unq 0 iso 0 dist 7.17547 4.54272 8.57853 14.5747 8.5244 13.6229 numMergedOcc 0
25 mol 218 unq 1 iso 0 dist 7.17547 10.2673 6.75035 14.5747 8.5244 6.19774 numMergedOcc 0
26 mol 218 unq 2 iso 0 dist 7.13323 6.8949 8.57853 11.7256 8.5244 13.6229 numMergedOcc 0
27 mol 218 unq 3 iso 0 dist 7.13323 6.60235 6.75035 11.7256 8.5244 6.19774 numMergedOcc 0
28 mol 232 unq 0 iso 0 dist 7.07392 6.66754 9.86861 4.14873 8.49913 4.31097 numMergedOcc 0
29 mol 232 unq 1 iso 0 dist 9.62952 5.82592 9.86861 6.71567 8.49913 4.31097 numMergedOcc 0
30 mol 234 unq 0 iso 0 dist 9.5707 5.56749 8.49841 12.7879 5.69634 11.8096 numMergedOcc 0
31 mol 234 unq 1 iso 0 dist 9.5707 12.1076 9.6101 12.7879 5.69634 6.12476 numMergedOcc 0
32 mol 234 unq 2 iso 0 dist 9.39181 6.29366 5.32183 11.1346 6.81195 6.12476 numMergedOcc 0
33 mol 235 unq 0 iso 0 dist 8.21247 10.6981 7.27958 4.75609 9.11149 9.32678 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 9.90142 15.7973 8.70193 8.71924 8.54425 9.47316 numMergedOcc 0
35 mol 238 unq 1 iso 0 dist 5.9216 10.438 8.70193 4.56594 8.54425 9.47316 numMergedOcc 0
36 mol 238 unq 2 iso 0 dist 8.14172 5.68826 6.00721 10.1977 8.71877 6.07223 numMergedOcc 0
37 mol 238 unq 3 iso 0 dist 6.77463 4.87097 6.00721 5.7648 8.71877 6.07223 numMergedOcc 0
38 mol 239 unq 0 iso 0 dist 7.20082 6.26168 6.34801 8.19606 9.82674 3.89756 numMergedOcc 0
39 mol 274 unq 0 iso 0 dist 9.19234 14.168 8.49866 4.60007 9.85661 15.8795 numMergedOcc 0
40 mol 282 unq 0 iso 0 dist 9.58517 5.9438 6.73692 4.50378 9.08606 3.70701 numMergedOcc 0
