0 mol 18 unq 0 iso 0 dist 5.32149 8.95573 8.70343 4.86477 9.1397 8.09187 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.90024 7.84444 12.2025 16.9091 9.02471 20.4768 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 9.96446 9.62702 10.9381 12.0126 5.42067 14.193 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 9.96446 6.97484 12.1976 12.0126 5.42067 16.1813 numMergedOcc 0
4 mol 92 unq 2 iso 0 dist 6.70686 9.62702 7.17408 12.0126 7.36435 14.193 numMergedOcc 0
5 mol 92 unq 3 iso 0 dist 6.70686 6.97484 10.944 12.0126 7.36435 16.1813 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 7.2443 8.94447 8.69934 4.8668 8.99912 5.45882 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 5.06555 9.68343 8.94259 8.14689 6.42623 13.8196 numMergedOcc 0
8 mol 120 unq 1 iso 0 dist 5.06555 9.68343 8.94259 5.74365 8.95899 15.4189 numMergedOcc 0
9 mol 122 unq 0 iso 0 dist 8.47907 9.55337 5.41882 12.1473 4.42563 9.08071 numMergedOcc 0
10 mol 154 unq 0 iso 0 dist 6.44195 5.81632 5.83431 5.71332 8.89394 5.97134 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 6.53913 9.4422 6.58937 5.60897 5.36671 11.4453 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 8.04723 5.85439 5.25267 12.3914 4.72821 9.8525 numMergedOcc 0
13 mol 197 unq 0 iso 0 dist 6.18446 6.58245 5.2908 9.33865 9.23086 9.77656 numMergedOcc 0
14 mol 206 unq 0 iso 0 dist 5.82039 8.65687 4.8585 12.4707 9.4629 11.6006 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 9.79816 7.89694 11.0503 5.27483 7.84952 11.67 numMergedOcc 0
16 mol 218 unq 1 iso 0 dist 9.79816 5.66171 7.47048 5.27483 7.84952 8.5244 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 6.95233 9.15288 4.27792 4.5731 9.29666 9.73748 numMergedOcc 0
18 mol 266 unq 1 iso 0 dist 6.95233 6.11795 11.5523 4.5731 9.29666 9.62847 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 9.13226 8.38395 6.68358 8.82131 9.83622 13.4412 numMergedOcc 0
20 mol 281 unq 0 iso 0 dist 9.27716 9.26654 6.82073 7.60311 5.50053 9.94612 numMergedOcc 0
21 mol 281 unq 1 iso 0 dist 9.27716 9.26654 6.82073 11.1675 7.33334 12.0277 numMergedOcc 0
