0 mol 6 unq 0 iso 0 dist 9.68907 12.5211 9.64829 8.5741 6.30562 5.01673 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 6.74091 10.2455 9.38983 4.89243 5.06897 5.84475 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 8.20049 4.98139 5.62002 7.47204 5.64067 6.01834 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 8.6783 4.69936 6.51139 13.653 8.19484 13.0657 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 8.6783 7.02255 6.91278 13.653 8.19484 10.5378 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 8.57785 16.0564 8.95571 12.0751 8.96507 12.7129 numMergedOcc 0
6 mol 55 unq 1 iso 0 dist 7.03751 4.42326 8.95571 9.47026 8.96507 12.7129 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 9.04935 4.82573 5.55798 10.6431 5.69384 6.15669 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 8.87505 4.66619 5.74058 14.0139 7.39532 10.6107 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 8.87505 4.66619 5.74058 4.91324 6.62468 6.00932 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 7.03774 7.57026 5.83682 5.82527 5.33314 5.96574 numMergedOcc 0
11 mol 173 unq 0 iso 0 dist 7.76856 6.2739 6.60418 5.86572 5.76772 6.35871 numMergedOcc 0
12 mol 176 unq 0 iso 0 dist 9.02576 6.30137 7.80506 8.82684 9.8594 7.95114 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 8.94464 8.18671 6.60648 5.80934 9.91705 11.0192 numMergedOcc 0
14 mol 226 unq 0 iso 0 dist 7.9801 8.45224 5.71182 5.03475 7.59273 5.19299 numMergedOcc 0
15 mol 226 unq 1 iso 0 dist 6.17825 8.7629 9.03261 5.03475 6.62391 5.70083 numMergedOcc 0
16 mol 226 unq 2 iso 0 dist 6.17825 8.45224 7.67573 5.03475 6.62391 5.19299 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 4.43243 7.15062 9.51001 10.968 8.38439 15.7632 numMergedOcc 0
18 mol 268 unq 0 iso 0 dist 9.7384 10.2436 6.62669 7.47414 5.60058 3.57919 numMergedOcc 0
19 mol 268 unq 1 iso 0 dist 9.7384 4.84665 9.73984 7.47414 5.60058 10.0762 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 9.96682 12.5944 7.8547 5.80838 9.91748 8.57871 numMergedOcc 0
