0 mol 43 unq 0 iso 0 dist 9.52295 4.66789 9.36759 9.54412 9.97844 8.96444 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.52295 9.8284 5.0553 9.54412 9.97844 6.39942 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 4.7864 7.18353 9.57666 7.88793 7.92196 6.83212 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 6.59983 5.00567 8.02624 7.86899 5.13951 6.32526 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 9.92579 5.00567 9.63119 7.86899 5.88852 6.32526 numMergedOcc 0
5 mol 68 unq 2 iso 0 dist 9.12636 9.84174 8.02624 12.5641 5.13951 6.32526 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 9.739 5.00649 7.85668 8.22062 6.40757 5.73441 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 5.11803 5.68632 8.72121 5.24518 7.34465 10.4601 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 9.13829 12.314 7.82186 6.87017 5.94417 5.47516 numMergedOcc 0
9 mol 120 unq 1 iso 0 dist 9.13829 14.2862 5.85006 6.87017 5.94417 11.0725 numMergedOcc 0
10 mol 120 unq 2 iso 0 dist 5.90276 9.31366 7.82186 5.23504 5.94417 5.47516 numMergedOcc 0
11 mol 120 unq 3 iso 0 dist 5.90276 9.8665 5.85006 5.23504 5.94417 11.0725 numMergedOcc 0
12 mol 120 unq 4 iso 0 dist 8.565 14.5868 7.82186 13.9931 5.94417 5.47516 numMergedOcc 0
13 mol 120 unq 5 iso 0 dist 8.565 4.15475 5.85006 13.9931 5.94417 11.0725 numMergedOcc 0
14 mol 125 unq 0 iso 0 dist 9.87276 8.62477 7.34506 10.3921 8.04452 7.34531 numMergedOcc 0
15 mol 125 unq 1 iso 0 dist 9.97204 5.30189 7.34506 5.36325 8.04452 7.34531 numMergedOcc 0
16 mol 127 unq 0 iso 0 dist 9.91321 5.88232 7.34368 10.7482 7.33646 9.81852 numMergedOcc 0
17 mol 132 unq 0 iso 0 dist 8.31873 7.68244 9.11314 4.56231 5.69956 5.6296 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 9.94212 7.14779 6.83034 4.36844 7.88147 5.05633 numMergedOcc 0
19 mol 154 unq 0 iso 0 dist 9.19804 13.7645 8.9675 10.8705 9.58365 6.14743 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 9.52193 6.623 9.11753 7.44933 9.25721 4.81365 numMergedOcc 0
21 mol 206 unq 0 iso 0 dist 6.38964 5.59897 5.99766 9.4117 5.71819 7.54538 numMergedOcc 0
22 mol 206 unq 1 iso 0 dist 6.38964 5.59897 5.99766 10.2556 8.48679 4.85877 numMergedOcc 0
23 mol 206 unq 2 iso 0 dist 6.38964 5.59897 5.99766 5.26297 9.86924 6.8664 numMergedOcc 0
24 mol 206 unq 3 iso 0 dist 6.38964 5.59897 5.99766 4.58247 7.44186 8.77652 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 6.94771 6.60799 9.92712 14.8054 8.81279 14.7206 numMergedOcc 0
26 mol 220 unq 1 iso 0 dist 6.94771 6.60799 9.92712 12.6024 9.57951 13.2207 numMergedOcc 0
27 mol 265 unq 0 iso 0 dist 6.21022 9.91968 9.05568 4.86847 5.8374 13.2654 numMergedOcc 0
28 mol 265 unq 1 iso 0 dist 6.21022 4.47698 7.29987 4.86847 5.8374 5.57706 numMergedOcc 0
29 mol 265 unq 2 iso 0 dist 8.06252 8.39994 9.05568 9.6804 5.8374 13.2654 numMergedOcc 0
30 mol 265 unq 3 iso 0 dist 8.06252 5.62902 7.29987 9.6804 5.8374 5.57706 numMergedOcc 0
31 mol 283 unq 0 iso 0 dist 7.81415 9.48513 6.69313 12.3631 5.7378 8.99445 numMergedOcc 0
32 mol 283 unq 1 iso 0 dist 7.81415 9.48513 6.69313 5.49773 7.15632 5.06928 numMergedOcc 0
