0 mol 4 unq 0 iso 0 dist 5.39008 6.10734 5.12621 12.7044 9.12428 8.24634 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 4.50643 8.71284 11.137 4.30086 7.78892 11.1558 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 7.67459 8.74005 8.59948 6.30607 9.21978 13.9247 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 7.67459 8.74005 8.59948 9.69698 8.03754 13.3156 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 5.48997 8.87151 9.58376 9.32604 9.40333 14.5577 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 9.02712 9.93309 15.0618 10.4303 9.1146 9.22232 numMergedOcc 0
6 mol 156 unq 0 iso 0 dist 5.50879 8.32841 5.6621 10.9993 8.50926 9.00416 numMergedOcc 0
7 mol 156 unq 1 iso 0 dist 5.50879 6.00295 6.65278 10.9993 8.50926 11.5086 numMergedOcc 0
8 mol 156 unq 2 iso 0 dist 6.69157 6.10069 7.27063 4.75264 8.50926 10.6036 numMergedOcc 0
9 mol 156 unq 3 iso 0 dist 6.69157 6.56065 5.6621 4.75264 8.50926 9.00416 numMergedOcc 0
10 mol 158 unq 0 iso 0 dist 8.95432 8.57657 7.35951 3.8949 9.99005 11.5119 numMergedOcc 0
11 mol 226 unq 0 iso 0 dist 8.24741 6.82883 4.66376 12.6212 9.30975 8.80683 numMergedOcc 0
12 mol 226 unq 1 iso 0 dist 8.24741 6.82883 4.66376 10.78 9.14028 6.11704 numMergedOcc 0
13 mol 226 unq 2 iso 0 dist 8.24741 6.95495 13.3747 12.6212 9.30975 16.0797 numMergedOcc 0
14 mol 226 unq 3 iso 0 dist 8.24741 6.95495 13.3747 10.78 9.14028 12.2318 numMergedOcc 0
15 mol 226 unq 4 iso 0 dist 5.07958 8.22518 4.66376 9.83787 9.30975 8.80683 numMergedOcc 0
16 mol 226 unq 5 iso 0 dist 5.07958 8.22518 4.66376 11.3247 9.14028 6.11704 numMergedOcc 0
17 mol 226 unq 6 iso 0 dist 6.19519 6.02803 4.66376 6.6871 9.30975 8.80683 numMergedOcc 0
18 mol 226 unq 7 iso 0 dist 6.19519 6.02803 4.66376 6.19485 9.14028 6.11704 numMergedOcc 0
19 mol 244 unq 0 iso 0 dist 6.2667 5.60146 4.89551 8.82711 9.21656 5.50492 numMergedOcc 0
20 mol 273 unq 0 iso 0 dist 7.85797 8.16005 4.73332 6.69098 9.37841 8.49177 numMergedOcc 0
21 mol 280 unq 0 iso 0 dist 6.38295 9.55885 12.6793 8.30978 5.41639 16.4957 numMergedOcc 0
22 mol 280 unq 1 iso 0 dist 6.38295 9.55885 12.6793 5.80223 7.96485 14.3936 numMergedOcc 0
