0 mol 53 unq 0 iso 0 dist 8.94173 8.83047 13.3355 5.86191 14.0061 6.2676 numMergedOcc 0
1 mol 53 unq 1 iso 0 dist 8.62669 6.95013 8.64107 8.21791 11.7599 6.2676 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 8.04926 6.78356 6.32957 11.5077 10.4065 5.07125 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 7.44784 8.99731 5.61704 6.3642 6.04595 8.4965 numMergedOcc 0
4 mol 115 unq 1 iso 0 dist 9.56867 8.99731 7.3094 6.3642 11.8378 8.4965 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 9.05626 4.85559 5.97111 7.12852 10.4778 6.5739 numMergedOcc 0
6 mol 154 unq 0 iso 0 dist 9.04554 6.31314 6.55507 5.93188 8.33439 9.82982 numMergedOcc 0
7 mol 173 unq 0 iso 0 dist 8.84671 4.0037 10.7924 9.37239 16.4945 7.17037 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 8.03597 4.97005 7.63746 10.2673 13.4993 8.57801 numMergedOcc 0
9 mol 186 unq 1 iso 0 dist 9.08672 5.67811 5.81909 9.71205 12.9756 8.17226 numMergedOcc 0
10 mol 222 unq 0 iso 0 dist 7.27481 9.04499 6.42798 12.9462 6.74196 7.97027 numMergedOcc 0
11 mol 222 unq 1 iso 0 dist 7.27481 9.04499 6.42798 11.0561 11.4707 6.81955 numMergedOcc 0
12 mol 222 unq 2 iso 0 dist 7.27481 9.04499 6.42798 9.50604 8.36842 4.9876 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 9.27989 8.83751 7.34872 3.28983 6.73665 6.43209 numMergedOcc 0
14 mol 239 unq 1 iso 0 dist 9.27989 8.77688 8.9361 3.28983 6.73665 8.48769 numMergedOcc 0
15 mol 250 unq 0 iso 0 dist 8.21206 9.48115 15.2098 7.72649 13.3361 8.43577 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 6.47376 7.5355 6.15987 4.91802 6.35028 5.81528 numMergedOcc 0
17 mol 279 unq 1 iso 0 dist 9.6147 7.88343 6.15987 9.35656 6.35028 5.81528 numMergedOcc 0
18 mol 284 unq 0 iso 0 dist 8.08993 5.68818 6.4399 14.1802 12.5394 9.07503 numMergedOcc 0
19 mol 284 unq 1 iso 0 dist 8.08993 5.68818 6.4399 11.9492 13.1224 7.63256 numMergedOcc 0
20 mol 284 unq 2 iso 0 dist 7.34344 5.68818 13.016 14.1802 21.2531 9.07503 numMergedOcc 0
21 mol 284 unq 3 iso 0 dist 7.34344 5.68818 13.016 11.9492 18.8246 7.63256 numMergedOcc 0
