0 mol 1 unq 0 iso 0 dist 9.60615 9.06627 5.96833 8.5245 7.27254 8.78328 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.54282 7.23962 9.06516 9.77186 6.38243 14.3325 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 7.54282 7.95969 9.96121 9.77186 6.38243 8.13684 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 9.91835 10.3737 4.44979 9.84971 6.83746 5.92812 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 9.91835 10.3737 4.44979 7.22811 9.14707 6.34014 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 9.29692 9.55475 6.61111 17.2555 8.75597 13.6622 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 9.29692 9.55475 6.61111 6.01639 9.18457 6.34014 numMergedOcc 0
7 mol 98 unq 4 iso 0 dist 7.6935 11.1769 4.44979 12.5762 6.83746 5.92812 numMergedOcc 0
8 mol 98 unq 5 iso 0 dist 7.6935 11.1769 4.44979 12.8467 9.14707 6.34014 numMergedOcc 0
9 mol 98 unq 6 iso 0 dist 8.71558 11.1769 6.61111 12.4403 8.75597 13.6622 numMergedOcc 0
10 mol 98 unq 7 iso 0 dist 8.71558 11.1769 6.61111 12.8467 9.18457 6.34014 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 6.68983 5.80684 5.51885 8.0239 7.59156 4.69847 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 7.79263 6.21945 6.55202 6.0453 9.6121 8.96522 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 9.9292 4.91188 6.13374 11.298 9.57341 11.1324 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 9.9292 7.01214 9.08536 11.298 9.57341 8.96522 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 7.09831 7.11305 8.50705 11.5038 9.05336 6.30647 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 8.64101 12.4041 6.65272 11.0721 8.99227 5.80919 numMergedOcc 0
17 mol 162 unq 1 iso 0 dist 8.64101 12.4041 6.65272 8.33753 7.86766 6.12036 numMergedOcc 0
18 mol 162 unq 2 iso 0 dist 8.64101 12.4041 6.65272 9.31053 9.3867 9.96936 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 9.43325 6.29996 7.25339 5.26093 6.07389 6.20673 numMergedOcc 0
20 mol 247 unq 0 iso 0 dist 5.97717 6.56856 8.53041 6.74568 9.92277 5.36525 numMergedOcc 0
21 mol 284 unq 0 iso 0 dist 7.21255 6.58652 9.69262 13.1762 8.63754 11.0091 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 7.18462 7.69733 5.84792 5.30748 9.2558 6.67435 numMergedOcc 0
23 mol 292 unq 1 iso 0 dist 6.66342 7.43702 9.08193 5.30748 9.84946 8.27109 numMergedOcc 0
24 mol 292 unq 2 iso 0 dist 6.66342 7.69733 8.73515 5.30748 9.84946 6.67435 numMergedOcc 0
