0 mol 14 unq 0 iso 0 dist 9.36795 12.9652 8.10957 20.176 11.5533 9.42387 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 9.36795 12.9652 8.10957 13.8586 5.82278 7.59564 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 8.16593 11.0193 7.44828 17.8424 14.7604 8.04019 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 7.44693 4.93428 7.15248 11.8601 11.9277 7.51967 numMergedOcc 0
4 mol 67 unq 1 iso 0 dist 7.44693 4.93428 7.15248 10.851 9.42543 6.04303 numMergedOcc 0
5 mol 67 unq 2 iso 0 dist 7.44693 9.09433 8.43162 10.851 9.42543 6.12267 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.65565 9.33353 4.34694 11.1836 3.73929 7.58027 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 8.71613 8.12626 6.53824 10.2967 4.48374 6.61973 numMergedOcc 0
8 mol 140 unq 0 iso 0 dist 8.75971 12.5812 7.77669 12.6597 4.18932 9.67726 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 7.74764 6.46011 6.72718 14.7312 10.4327 8.72949 numMergedOcc 0
10 mol 189 unq 0 iso 0 dist 8.49075 5.92167 6.77641 11.6109 6.4062 7.54658 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 7.35578 6.4634 8.57174 15.6206 15.5559 9.89039 numMergedOcc 0
12 mol 229 unq 0 iso 0 dist 7.197 8.6372 8.4208 10.393 5.50813 6.28935 numMergedOcc 0
13 mol 245 unq 0 iso 0 dist 9.93922 13.4565 9.96585 13.7732 5.15551 7.27022 numMergedOcc 0
14 mol 245 unq 1 iso 0 dist 9.93922 13.4565 9.96585 20.093 14.3262 7.95061 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 9.17075 13.8167 9.0836 12.9939 5.40028 9.62494 numMergedOcc 0
16 mol 266 unq 1 iso 0 dist 7.68224 10.5649 9.0836 9.8751 5.40028 9.62494 numMergedOcc 0
17 mol 266 unq 2 iso 0 dist 9.8751 10.5649 9.62494 7.68224 5.40028 9.0836 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 6.99084 10.4062 7.14859 13.4987 7.11169 6.96774 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 6.99084 10.4062 7.14859 13.4987 7.11169 6.96774 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 6.99084 10.4062 7.14859 13.4987 7.11169 6.96774 numMergedOcc 0
