0 mol 19 unq 0 iso 0 dist 8.96529 11.5235 8.18518 18.6632 14.1404 8.4674 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.96529 11.5235 8.18518 12.9168 6.57145 4.54938 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 8.96529 11.5235 8.18518 10.9975 6.01189 7.82074 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 9.39332 12.695 8.18518 19.2316 14.1404 8.4674 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 9.39332 12.695 8.18518 12.4855 6.57145 4.54938 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 9.39332 12.695 8.18518 14.8314 6.01189 7.82074 numMergedOcc 0
6 mol 19 unq 6 iso 0 dist 6.79758 7.65931 7.84393 12.7771 9.01721 7.82074 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 9.80157 6.7276 8.23292 9.40763 12.4427 5.04899 numMergedOcc 0
8 mol 34 unq 0 iso 0 dist 9.29561 12.429 6.85305 13.716 4.70723 9.24927 numMergedOcc 0
9 mol 75 unq 0 iso 0 dist 6.76977 6.54018 7.16583 10.0492 6.77761 7.79912 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 8.08674 9.08836 4.83274 13.5857 10.2219 6.97941 numMergedOcc 0
11 mol 76 unq 1 iso 0 dist 8.33694 9.08836 7.89214 13.5857 7.74851 6.97941 numMergedOcc 0
12 mol 88 unq 0 iso 0 dist 9.75856 11.3232 7.76275 17.5686 13.1838 9.36773 numMergedOcc 0
13 mol 88 unq 1 iso 0 dist 9.75856 11.3232 7.76275 18.9004 12.6939 8.31336 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 9.26301 15.8173 9.24515 11.1736 5.24877 7.5732 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 5.2929 6.06993 8.93552 6.61066 6.07331 4.99221 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 5.2929 5.29965 8.35604 6.3982 5.3967 5.11551 numMergedOcc 0
17 mol 115 unq 2 iso 0 dist 5.2929 5.29965 8.35604 11.6013 11.9798 7.11972 numMergedOcc 0
18 mol 115 unq 3 iso 0 dist 6.17589 6.06993 6.20658 6.61066 7.09627 4.99221 numMergedOcc 0
19 mol 115 unq 4 iso 0 dist 6.17589 5.29965 7.83568 6.3982 7.10772 5.11551 numMergedOcc 0
20 mol 115 unq 5 iso 0 dist 6.17589 5.29965 7.83568 11.6013 11.3906 7.11972 numMergedOcc 0
21 mol 132 unq 0 iso 0 dist 8.97036 13.8837 6.495 18.8197 10.0823 7.7059 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 8.70916 5.56707 7.15203 11.2668 5.38237 7.24514 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 8.70916 5.56707 7.15203 10.9887 9.71227 8.22656 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 9.6112 8.99682 5.30872 11.3052 6.3915 5.99315 numMergedOcc 0
25 mol 143 unq 1 iso 0 dist 7.88346 12.628 7.5984 12.8356 5.11989 5.99315 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 8.9867 5.22923 6.86297 8.58465 8.03427 8.87694 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 8.9867 5.22923 6.86297 13.2127 7.56632 9.09754 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 8.68482 4.65392 7.7292 11.2139 13.4646 7.10633 numMergedOcc 0
29 mol 204 unq 1 iso 0 dist 8.68482 4.65392 7.7292 11.1575 9.54287 8.51516 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 9.64006 15.7646 8.9077 18.1733 10.6943 9.23153 numMergedOcc 0
31 mol 220 unq 1 iso 0 dist 9.64006 15.7646 8.9077 20.0689 15.396 8.24498 numMergedOcc 0
32 mol 224 unq 0 iso 0 dist 9.86201 5.30529 7.25658 11.1386 5.38198 6.65832 numMergedOcc 0
33 mol 229 unq 0 iso 0 dist 5.95601 6.23286 8.0007 9.67544 5.29674 9.87838 numMergedOcc 0
34 mol 236 unq 0 iso 0 dist 7.73969 5.81354 6.73134 6.67907 5.52669 8.04248 numMergedOcc 0
35 mol 236 unq 1 iso 0 dist 7.73969 5.81354 6.73134 6.0087 5.27568 8.35971 numMergedOcc 0
36 mol 241 unq 0 iso 0 dist 9.82576 6.14115 6.40592 11.7866 7.93809 7.4631 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 9.98041 6.00315 6.96379 13.2261 10.908 8.13497 numMergedOcc 0
38 mol 259 unq 1 iso 0 dist 9.98041 6.00315 6.96379 11.283 12.7595 7.88519 numMergedOcc 0
39 mol 277 unq 0 iso 0 dist 6.92271 4.83355 8.35794 6.86014 5.77904 9.7748 numMergedOcc 0
40 mol 277 unq 1 iso 0 dist 8.62666 11.2857 8.35794 5.97073 5.77904 9.7748 numMergedOcc 0
