0 mol 53 unq 0 iso 0 dist 9.90794 8.61163 10.8186 6.58374 8.69565 13.6368 numMergedOcc 0
1 mol 91 unq 0 iso 0 dist 8.56547 7.47827 7.45926 3.98211 7.42828 9.30539 numMergedOcc 0
2 mol 91 unq 1 iso 0 dist 5.23177 7.47827 5.55005 3.98211 5.98441 9.30539 numMergedOcc 0
3 mol 91 unq 2 iso 0 dist 5.23177 7.47827 5.55005 6.76611 5.61819 9.01176 numMergedOcc 0
4 mol 91 unq 3 iso 0 dist 6.77052 7.47827 9.57561 3.98211 5.45873 9.30539 numMergedOcc 0
5 mol 91 unq 4 iso 0 dist 6.77052 7.47827 9.57561 6.76611 6.97995 9.01176 numMergedOcc 0
6 mol 91 unq 5 iso 0 dist 9.23907 7.28711 5.27581 9.98867 4.86532 5.73743 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 7.65424 4.93035 4.93029 9.11419 7.57714 9.79216 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 7.65424 9.75558 10.28 9.11419 7.57714 15.738 numMergedOcc 0
9 mol 167 unq 0 iso 0 dist 7.62006 4.93984 7.01116 10.4145 9.83216 13.7242 numMergedOcc 0
10 mol 182 unq 0 iso 0 dist 6.06892 7.8621 11.8631 5.77163 9.38111 7.09394 numMergedOcc 0
11 mol 196 unq 0 iso 0 dist 7.21836 6.60651 12.7415 10.9094 6.23981 13.9175 numMergedOcc 0
12 mol 196 unq 1 iso 0 dist 7.21836 6.60651 12.7415 7.39685 5.92441 12.4449 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 6.43416 5.52981 6.75711 5.3192 8.88206 6.1951 numMergedOcc 0
14 mol 218 unq 1 iso 0 dist 6.43416 6.22077 9.70376 5.3192 8.88206 10.8165 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 7.24101 7.2527 10.2134 10.0472 6.62283 7.57812 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 7.24101 7.2527 10.2134 10.0651 8.60978 8.69104 numMergedOcc 0
17 mol 238 unq 2 iso 0 dist 7.24101 7.13194 5.88384 10.0472 6.62283 9.24557 numMergedOcc 0
18 mol 238 unq 3 iso 0 dist 7.24101 7.13194 5.88384 10.0651 8.60978 12.9364 numMergedOcc 0
19 mol 249 unq 0 iso 0 dist 7.10933 6.93507 6.45919 5.74889 6.7282 10.0024 numMergedOcc 0
20 mol 249 unq 1 iso 0 dist 7.10933 6.42827 8.71871 5.74889 6.7282 5.48118 numMergedOcc 0
21 mol 252 unq 0 iso 0 dist 6.4889 9.78185 9.42665 7.27483 9.41595 15.9791 numMergedOcc 0
