0 mol 34 unq 0 iso 0 dist 4.97286 6.00825 4.50643 9.12062 5.70643 5.68877 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 9.03899 4.83564 6.11574 10.7248 4.68435 6.30541 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 9.03899 4.83564 6.11574 7.73902 4.0144 6.14602 numMergedOcc 0
3 mol 110 unq 0 iso 0 dist 7.85994 10.8513 9.00302 10.4529 4.37836 6.34794 numMergedOcc 0
4 mol 151 unq 0 iso 0 dist 7.81284 3.79396 5.89468 11.5568 14.3657 9.39452 numMergedOcc 0
5 mol 156 unq 0 iso 0 dist 8.95171 13.2289 5.50879 6.72426 4.20708 9.13184 numMergedOcc 0
6 mol 156 unq 1 iso 0 dist 8.95171 6.91184 6.69157 6.72426 4.20708 7.27593 numMergedOcc 0
7 mol 172 unq 0 iso 0 dist 6.10845 10.5641 9.21942 17.3834 12.9865 9.41172 numMergedOcc 0
8 mol 172 unq 1 iso 0 dist 6.16303 6.78233 7.77643 13.9551 12.2355 9.41172 numMergedOcc 0
9 mol 172 unq 2 iso 0 dist 6.16303 8.65462 4.90175 13.9551 12.2355 8.2809 numMergedOcc 0
10 mol 209 unq 0 iso 0 dist 8.9906 15.5731 8.78565 17.2099 8.27556 9.39076 numMergedOcc 0
11 mol 209 unq 1 iso 0 dist 9.9897 6.62558 6.82209 12.9877 5.89664 8.49635 numMergedOcc 0
12 mol 240 unq 0 iso 0 dist 5.84605 5.01224 6.50985 8.96064 3.96088 7.61364 numMergedOcc 0
13 mol 241 unq 0 iso 0 dist 9.89398 4.51587 8.00841 5.66945 8.94039 7.30582 numMergedOcc 0
14 mol 271 unq 0 iso 0 dist 6.56531 5.22029 5.76281 9.27556 5.60228 8.54162 numMergedOcc 0
15 mol 277 unq 0 iso 0 dist 4.66834 5.57184 6.40125 6.01542 9.70521 7.91992 numMergedOcc 0
16 mol 277 unq 1 iso 0 dist 4.66834 10.4217 7.25282 11.9354 8.61682 8.12461 numMergedOcc 0
17 mol 277 unq 2 iso 0 dist 4.66834 10.4217 7.25282 6.58667 4.80425 9.027 numMergedOcc 0
18 mol 280 unq 0 iso 0 dist 8.45851 11.5456 6.38295 12.3566 4.65268 4.26671 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 9.89794 7.74874 9.60309 15.0268 10.3798 9.86767 numMergedOcc 0
