0 mol 43 unq 0 iso 0 dist 5.51659 9.81698 7.79998 5.14684 9.21978 14.3734 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 5.51659 9.81698 7.79998 11.2139 8.03754 15.1053 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 7.03264 6.6003 6.43864 11.7681 9.15386 14.8048 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 7.03264 6.44118 10.7211 11.7681 9.15386 17.8546 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.24151 6.83992 8.73236 5.26206 7.46657 10.0992 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 9.53895 9.42766 8.82375 10.0214 9.20041 14.6242 numMergedOcc 0
6 mol 197 unq 0 iso 0 dist 9.95181 9.5331 14.8638 10.913 8.67786 17.0526 numMergedOcc 0
7 mol 205 unq 0 iso 0 dist 8.03534 8.43584 16.0759 6.4623 7.51951 10.9575 numMergedOcc 0
8 mol 206 unq 0 iso 0 dist 9.24348 9.72979 11.9391 16.0517 8.45825 20.3632 numMergedOcc 0
9 mol 206 unq 1 iso 0 dist 9.24348 6.97859 4.88904 16.0517 8.45825 13.3275 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 7.81237 9.8711 13.3213 4.90657 5.39218 9.23153 numMergedOcc 0
11 mol 234 unq 0 iso 0 dist 7.01653 5.89084 4.93623 4.74041 5.46736 6.56247 numMergedOcc 0
12 mol 234 unq 1 iso 0 dist 7.01653 8.47009 11.7817 4.74041 5.46736 9.36357 numMergedOcc 0
13 mol 261 unq 0 iso 0 dist 8.69675 9.62828 6.43209 10.5691 7.30472 8.02547 numMergedOcc 0
14 mol 265 unq 0 iso 0 dist 9.74602 9.59213 6.86214 11.2026 6.45326 10.3232 numMergedOcc 0
15 mol 274 unq 0 iso 0 dist 9.70022 7.79904 4.84546 7.96313 8.41236 10.3851 numMergedOcc 0
16 mol 274 unq 1 iso 0 dist 9.70022 9.02749 13.2618 7.96313 8.41236 12.8531 numMergedOcc 0
17 mol 274 unq 2 iso 0 dist 7.32898 7.80446 4.54436 7.97998 8.41236 11.9707 numMergedOcc 0
18 mol 274 unq 3 iso 0 dist 7.32898 9.86142 4.84546 7.97998 8.41236 10.3851 numMergedOcc 0
19 mol 276 unq 0 iso 0 dist 8.26741 7.70061 4.97852 5.72513 8.15803 10.033 numMergedOcc 0
20 mol 276 unq 1 iso 0 dist 8.26741 9.05218 11.2406 5.72513 8.15803 9.8993 numMergedOcc 0
