0 mol 21 unq 0 iso 0 dist 8.85347 7.30688 7.08873 10.3127 10.4933 5.63735 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.85331 8.14598 5.69214 12.8157 7.29868 5.80953 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.58468 6.88243 6.24991 5.22484 12.7964 9.02642 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 4.83274 6.97936 6.77898 15.4077 14.1196 8.77077 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 7.89214 5.00466 6.77898 6.67172 14.1196 8.77077 numMergedOcc 0
5 mol 155 unq 0 iso 0 dist 8.66709 5.55218 7.10286 12.2688 11.1616 9.16358 numMergedOcc 0
6 mol 155 unq 1 iso 0 dist 8.66709 5.55218 7.10286 12.1461 6.53347 9.24038 numMergedOcc 0
7 mol 171 unq 0 iso 0 dist 6.01711 9.67711 7.5383 6.4423 9.61462 7.47964 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 9.63295 8.39573 5.93724 5.39949 6.41453 5.99437 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 8.03597 9.76574 5.1409 5.80701 10.7725 9.45907 numMergedOcc 0
10 mol 214 unq 0 iso 0 dist 9.4835 8.44407 13.9529 5.74127 12.9775 5.31416 numMergedOcc 0
11 mol 214 unq 1 iso 0 dist 9.4835 6.0155 8.52282 5.74127 12.9775 5.44533 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 7.30244 8.63649 14.9028 5.45485 11.1525 9.23863 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 7.29796 8.63649 14.1071 5.45485 12.3455 9.23863 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 7.04127 5.36326 5.13732 6.66792 10.0553 5.05368 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 7.72749 4.93584 4.74189 11.7682 10.1085 9.63518 numMergedOcc 0
16 mol 273 unq 0 iso 0 dist 6.54753 8.66133 4.24707 7.10817 8.83865 7.85836 numMergedOcc 0
17 mol 273 unq 1 iso 0 dist 6.54753 6.95569 12.634 4.30863 10.7715 5.61969 numMergedOcc 0
18 mol 273 unq 2 iso 0 dist 6.54753 6.95569 12.634 7.71446 13.5822 9.0277 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 9.84188 9.91103 19.0436 12.7485 18.8597 9.26157 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 8.35794 9.91103 17.6038 12.7485 16.795 9.26157 numMergedOcc 0
