0 mol 73 unq 0 iso 0 dist 8.90896 6.66506 5.00474 5.67493 10.4296 6.48232 5.79954 4.78435 5.11416 7.04044 numMergedOcc 0
1 mol 73 unq 1 iso 0 dist 8.90896 6.66506 5.00474 5.67493 10.4296 6.48232 10.4766 6.33833 6.56633 8.73253 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 7.70612 6.6186 5.04277 5.00872 6.40964 8.57827 13.2395 9.40813 13.534 8.65802 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 8.53914 9.13614 6.12935 5.02505 8.71813 6.76575 7.4371 9.09837 7.20706 8.67766 numMergedOcc 0
4 mol 109 unq 1 iso 0 dist 8.53914 9.13614 6.12935 5.02505 8.71813 6.76575 10.4795 10.9676 5.35728 8.0831 numMergedOcc 0
5 mol 147 unq 0 iso 0 dist 5.32865 8.40219 5.30729 14.4753 12.3785 7.25644 18.9488 16.4315 11.1681 5.49226 numMergedOcc 0
6 mol 147 unq 1 iso 0 dist 5.32865 8.40219 5.30729 14.4753 12.3785 7.25644 13.3329 10.2089 5.50251 6.28351 numMergedOcc 0
7 mol 162 unq 0 iso 0 dist 6.59407 6.80226 4.93161 12.1377 13.1134 8.21989 15.2202 12.6687 9.0783 8.00506 numMergedOcc 0
8 mol 162 unq 1 iso 0 dist 9.96586 8.11292 4.05981 13.9849 8.6792 8.57005 13.9777 6.22059 6.07158 6.20182 numMergedOcc 0
9 mol 162 unq 2 iso 0 dist 7.30751 8.54006 4.05981 7.2417 8.6792 8.57005 10.282 6.22059 6.07158 6.20182 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 7.03107 8.79832 11.4777 10.1424 15.4718 5.89564 17.2323 22.4862 11.8693 7.35824 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 5.86839 6.23057 4.79372 11.501 13.0508 9.17946 17.993 17.2587 13.0658 8.44861 numMergedOcc 0
12 mol 205 unq 1 iso 0 dist 5.86839 6.23057 4.79372 11.501 13.0508 9.17946 17.0692 18.4361 14.4523 5.60393 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 9.89039 7.46122 9.36068 5.41948 12.6994 5.37796 8.9077 13.6952 7.11498 5.45036 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 8.57174 7.46122 15.6078 5.41948 12.3489 5.37796 8.9077 13.8822 7.11498 5.45036 numMergedOcc 0
15 mol 230 unq 0 iso 0 dist 9.24729 8.85051 9.16476 5.02022 6.86851 6.34832 8.33847 12.2372 5.0515 6.41286 numMergedOcc 0
16 mol 282 unq 0 iso 0 dist 8.54984 8.42086 6.45254 10.796 10.3646 8.67489 11.1193 6.62554 6.46616 5.23193 numMergedOcc 0
17 mol 282 unq 1 iso 0 dist 6.04225 8.42086 4.0078 10.796 11.097 8.67489 11.1193 9.07097 6.46616 5.23193 numMergedOcc 0
18 mol 282 unq 2 iso 0 dist 5.00258 7.84236 4.0078 13.26 11.097 8.67489 12.9711 9.07097 6.46616 5.23193 numMergedOcc 0
19 mol 282 unq 3 iso 0 dist 9.98886 7.84236 12.9261 13.26 21.1725 8.67489 12.9711 19.1043 6.46616 5.23193 numMergedOcc 0
