0 mol 38 unq 0 iso 0 dist 9.49676 5.39032 7.96306 10.8777 9.68539 12.9164 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 5.78968 5.95499 6.35789 4.72428 9.3913 10.1544 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 5.16558 10.3712 8.34804 5.23343 6.23298 10.2575 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 6.02644 4.34451 5.37819 5.17083 5.57712 5.88809 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 6.79564 9.73999 6.36357 10.1416 9.81273 15.288 numMergedOcc 0
5 mol 103 unq 1 iso 0 dist 6.79564 9.73999 6.36357 11.405 6.67575 8.47667 numMergedOcc 0
6 mol 147 unq 0 iso 0 dist 6.28769 4.67675 9.21476 5.54447 6.00651 4.93993 numMergedOcc 0
7 mol 147 unq 1 iso 0 dist 6.28769 4.67675 9.21476 3.87868 8.52428 7.55402 numMergedOcc 0
8 mol 151 unq 0 iso 0 dist 8.25396 6.50161 5.62891 9.10018 9.74969 7.72755 numMergedOcc 0
9 mol 183 unq 0 iso 0 dist 8.53483 16.8409 9.15795 5.85166 5.83335 11.7914 numMergedOcc 0
10 mol 183 unq 1 iso 0 dist 8.53483 16.8409 9.15795 18.0876 9.92635 6.08414 numMergedOcc 0
11 mol 183 unq 2 iso 0 dist 8.58404 10.5692 9.15795 5.78444 5.83335 11.7914 numMergedOcc 0
12 mol 183 unq 3 iso 0 dist 8.58404 10.5692 9.15795 13.2035 9.92635 6.08414 numMergedOcc 0
13 mol 183 unq 4 iso 0 dist 8.1126 10.5692 8.72128 5.7856 9.86506 15.1826 numMergedOcc 0
14 mol 183 unq 5 iso 0 dist 8.1126 10.5692 8.72128 5.78444 7.86724 11.7914 numMergedOcc 0
15 mol 183 unq 6 iso 0 dist 8.1126 10.5692 8.72128 13.2035 7.85507 6.08414 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 8.62592 4.69752 9.52903 12.3393 9.4886 12.9877 numMergedOcc 0
17 mol 265 unq 0 iso 0 dist 9.83854 10.0903 9.81689 12.5955 6.98812 5.57706 numMergedOcc 0
18 mol 294 unq 0 iso 0 dist 8.88961 5.52829 8.55037 7.11058 5.27236 9.06411 numMergedOcc 0
19 mol 294 unq 1 iso 0 dist 8.88961 12.1577 5.71656 7.11058 5.27236 7.05161 numMergedOcc 0
