0 mol 16 unq 0 iso 0 dist 8.46837 5.66529 5.77753 11.8413 5.38671 7.03948 9.59856 5.45161 5.47769 6.92781 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 8.46837 5.66529 5.77753 9.59856 5.45161 5.47769 11.8413 5.38671 7.03948 6.92781 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 8.46837 5.66529 5.77753 11.8413 5.38671 7.03948 6.84569 6.43294 6.58035 10.7015 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 8.46837 5.66529 5.77753 6.84569 6.43294 6.58035 11.8413 5.38671 7.03948 10.7015 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 8.46837 5.66529 5.77753 9.59856 5.45161 5.47769 6.84569 6.43294 6.58035 5.32694 numMergedOcc 0
5 mol 16 unq 1 iso 1 dist 8.46837 5.66529 5.77753 6.84569 6.43294 6.58035 9.59856 5.45161 5.47769 5.32694 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 9.55978 5.72837 9.04865 13.8314 12.4435 8.23643 13.7212 9.84922 8.73972 5.03957 numMergedOcc 0
7 mol 19 unq 0 iso 1 dist 9.55978 5.72837 9.04865 13.7212 9.84922 8.73972 13.8314 12.4435 8.23643 5.03957 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 5.90391 5.19805 6.94727 6.32012 5.2876 6.99408 10.308 5.28153 9.3403 6.11102 numMergedOcc 0
9 mol 45 unq 0 iso 1 dist 5.90391 5.19805 6.94727 10.308 5.28153 9.3403 6.32012 5.2876 6.99408 6.11102 numMergedOcc 0
10 mol 45 unq 1 iso 0 dist 8.82771 5.48117 6.94727 11.3157 5.2876 6.99408 12.6372 5.28153 9.3403 6.11102 numMergedOcc 0
11 mol 45 unq 1 iso 1 dist 8.82771 5.48117 6.94727 12.6372 5.28153 9.3403 11.3157 5.2876 6.99408 6.11102 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 7.84699 10.0721 6.4154 10.1112 10.4716 8.70133 6.10011 8.04817 5.64598 7.4697 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 7.84699 10.0721 6.4154 6.10011 8.04817 5.64598 10.1112 10.4716 8.70133 7.4697 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 7.84699 10.0721 6.4154 10.1112 10.4716 8.70133 8.124 5.2774 4.65521 5.4148 numMergedOcc 0
15 mol 73 unq 1 iso 1 dist 7.84699 10.0721 6.4154 8.124 5.2774 4.65521 10.1112 10.4716 8.70133 5.4148 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 7.84699 10.0721 6.4154 6.10011 8.04817 5.64598 8.124 5.2774 4.65521 5.7113 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 7.84699 10.0721 6.4154 8.124 5.2774 4.65521 6.10011 8.04817 5.64598 5.7113 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 7.53504 13.2987 6.4154 16.3948 10.4716 8.70133 15.5212 8.04817 5.64598 7.4697 numMergedOcc 0
19 mol 73 unq 2 iso 1 dist 7.53504 13.2987 6.4154 15.5212 8.04817 5.64598 16.3948 10.4716 8.70133 7.4697 numMergedOcc 0
20 mol 73 unq 3 iso 0 dist 7.53504 13.2987 6.4154 16.3948 10.4716 8.70133 11.801 5.2774 4.65521 5.4148 numMergedOcc 0
21 mol 73 unq 3 iso 1 dist 7.53504 13.2987 6.4154 11.801 5.2774 4.65521 16.3948 10.4716 8.70133 5.4148 numMergedOcc 0
22 mol 73 unq 3 iso 0 dist 7.53504 13.2987 6.4154 15.5212 8.04817 5.64598 11.801 5.2774 4.65521 5.7113 numMergedOcc 0
23 mol 73 unq 3 iso 1 dist 7.53504 13.2987 6.4154 11.801 5.2774 4.65521 15.5212 8.04817 5.64598 5.7113 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 8.16113 5.97684 5.60716 11.9574 5.56084 6.87861 6.04412 5.71451 6.50039 10.4294 numMergedOcc 0
25 mol 115 unq 0 iso 1 dist 8.16113 5.97684 5.60716 6.04412 5.71451 6.50039 11.9574 5.56084 6.87861 10.4294 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 9.21999 6.63186 8.33489 10.9185 15.8885 8.94837 6.54987 10.3334 7.77454 7.93571 numMergedOcc 0
27 mol 134 unq 0 iso 1 dist 9.21999 6.63186 8.33489 6.54987 10.3334 7.77454 10.9185 15.8885 8.94837 7.93571 numMergedOcc 0
28 mol 173 unq 0 iso 0 dist 9.17063 9.61315 9.25763 16.9922 15.2665 7.93331 16.0485 12.006 6.98095 4.83994 numMergedOcc 0
29 mol 173 unq 0 iso 1 dist 9.17063 9.61315 9.25763 16.0485 12.006 6.98095 16.9922 15.2665 7.93331 4.83994 numMergedOcc 0
30 mol 173 unq 1 iso 0 dist 9.17063 9.61315 9.25763 16.9922 15.2665 7.93331 15.0603 14.7376 8.31897 5.16343 numMergedOcc 0
31 mol 173 unq 1 iso 1 dist 9.17063 9.61315 9.25763 15.0603 14.7376 8.31897 16.9922 15.2665 7.93331 5.16343 numMergedOcc 0
32 mol 173 unq 1 iso 0 dist 9.17063 9.61315 9.25763 16.0485 12.006 6.98095 15.0603 14.7376 8.31897 8.17887 numMergedOcc 0
33 mol 173 unq 1 iso 1 dist 9.17063 9.61315 9.25763 15.0603 14.7376 8.31897 16.0485 12.006 6.98095 8.17887 numMergedOcc 0
34 mol 173 unq 2 iso 0 dist 9.99332 9.61315 9.63102 16.9922 14.1226 7.93331 16.0485 11.6705 6.98095 4.83994 numMergedOcc 0
35 mol 173 unq 2 iso 1 dist 9.99332 9.61315 9.63102 16.0485 11.6705 6.98095 16.9922 14.1226 7.93331 4.83994 numMergedOcc 0
36 mol 173 unq 3 iso 0 dist 9.99332 9.61315 9.63102 16.9922 14.1226 7.93331 15.0603 12.3698 8.31897 5.16343 numMergedOcc 0
37 mol 173 unq 3 iso 1 dist 9.99332 9.61315 9.63102 15.0603 12.3698 8.31897 16.9922 14.1226 7.93331 5.16343 numMergedOcc 0
38 mol 173 unq 3 iso 0 dist 9.99332 9.61315 9.63102 16.0485 11.6705 6.98095 15.0603 12.3698 8.31897 8.17887 numMergedOcc 0
39 mol 173 unq 3 iso 1 dist 9.99332 9.61315 9.63102 15.0603 12.3698 8.31897 16.0485 11.6705 6.98095 8.17887 numMergedOcc 0
40 mol 194 unq 0 iso 0 dist 5.69866 5.17358 5.40592 9.68918 5.03763 6.47873 13.4844 11.4735 8.38695 8.48054 numMergedOcc 0
41 mol 194 unq 0 iso 1 dist 5.69866 5.17358 5.40592 13.4844 11.4735 8.38695 9.68918 5.03763 6.47873 8.48054 numMergedOcc 0
42 mol 214 unq 0 iso 0 dist 5.69733 5.24956 6.35728 11.5105 10.644 7.46831 10.1886 4.82712 8.60247 10.3105 numMergedOcc 0
43 mol 214 unq 0 iso 1 dist 5.69733 5.24956 6.35728 10.1886 4.82712 8.60247 11.5105 10.644 7.46831 10.3105 numMergedOcc 0
44 mol 227 unq 0 iso 0 dist 7.99145 10.2228 8.34104 12.9898 14.9329 8.17891 14.1659 13.2783 6.95902 5.22356 numMergedOcc 0
45 mol 227 unq 0 iso 1 dist 7.99145 10.2228 8.34104 14.1659 13.2783 6.95902 12.9898 14.9329 8.17891 5.22356 numMergedOcc 0
