0 mol 29 unq 0 iso 0 dist 9.99467 5.97548 5.36278 13.2555 7.29489 8.9204 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 9.99467 9.88128 7.50258 14.1451 5.07025 9.19374 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 9.09831 6.76039 6.70095 14.0264 6.52918 8.5021 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 9.82294 7.89444 5.66803 6.23138 8.95689 9.23947 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 8.62244 9.67456 8.43162 16.0207 11.1043 7.41937 numMergedOcc 0
5 mol 67 unq 1 iso 0 dist 8.62244 9.67456 8.43162 14.7982 12.2002 6.07108 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.27044 12.456 7.58027 18.8391 12.5165 6.82707 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.98208 12.456 4.34694 18.8391 10.5011 6.82707 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 5.55798 6.05149 8.64686 13.5556 14.0351 7.99438 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 5.55798 6.05149 8.64686 12.4799 13.4228 6.64915 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.29249 9.44377 7.70612 10.5329 5.04277 6.6186 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 8.75165 7.3651 6.79959 9.13032 3.96279 9.68619 numMergedOcc 0
12 mol 116 unq 0 iso 0 dist 9.62357 15.1223 6.61973 10.2858 6.2875 9.2638 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 5.16531 12.2874 9.52061 12.672 7.72162 7.32407 numMergedOcc 0
14 mol 129 unq 1 iso 0 dist 5.16531 12.2874 9.52061 11.6466 7.95267 6.48695 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 5.47265 7.75436 5.32865 9.41073 5.30729 8.40219 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 9.74749 10.4244 9.96586 8.63323 4.05981 8.11292 numMergedOcc 0
17 mol 162 unq 1 iso 0 dist 9.74749 5.55488 7.30751 8.63323 4.05981 8.54006 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 8.57666 10.4645 7.03107 18.2343 11.4777 8.79832 numMergedOcc 0
19 mol 195 unq 0 iso 0 dist 9.35664 10.612 7.2833 16.7291 8.71774 9.25935 numMergedOcc 0
20 mol 226 unq 0 iso 0 dist 9.03261 9.96567 8.74399 12.7784 7.20864 5.3747 numMergedOcc 0
21 mol 230 unq 0 iso 0 dist 5.19913 6.28086 9.24729 10.4536 9.16476 8.85051 numMergedOcc 0
22 mol 271 unq 0 iso 0 dist 6.96986 12.846 9.50884 15.4797 11.0964 7.03848 numMergedOcc 0
23 mol 285 unq 0 iso 0 dist 7.38536 6.37482 6.32984 8.65334 5.78887 6.46935 numMergedOcc 0
