0 mol 26 unq 0 iso 0 dist 8.62693 10.2609 8.82012 4.09495 9.16962 13.2136 5.23054 5.84066 5.56139 8.25132 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 8.62693 4.09495 9.16962 10.2609 8.82012 13.2136 5.23054 5.84066 8.25132 5.56139 numMergedOcc 0
2 mol 117 unq 0 iso 0 dist 9.58171 10.4485 6.62561 5.27151 7.63616 7.22206 5.61881 9.94053 7.20875 3.77029 numMergedOcc 0
3 mol 117 unq 0 iso 1 dist 9.58171 5.27151 7.63616 10.4485 6.62561 7.22206 5.61881 9.94053 3.77029 7.20875 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 8.95838 7.38295 7.39889 5.85391 9.63176 11.6667 5.99531 6.55202 6.30721 6.9194 numMergedOcc 0
5 mol 119 unq 0 iso 1 dist 8.95838 5.85391 9.63176 7.38295 7.39889 11.6667 5.99531 6.55202 6.9194 6.30721 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 8.95838 7.38295 7.39889 5.85391 9.63176 11.6667 11.2265 9.08536 14.443 9.68677 numMergedOcc 0
7 mol 119 unq 1 iso 1 dist 8.95838 5.85391 9.63176 7.38295 7.39889 11.6667 11.2265 9.08536 9.68677 14.443 numMergedOcc 0
8 mol 119 unq 2 iso 0 dist 8.95838 7.38295 7.39889 11.0075 7.44174 11.3169 5.99531 6.55202 6.30721 12.4621 numMergedOcc 0
9 mol 119 unq 2 iso 1 dist 8.95838 11.0075 7.44174 7.38295 7.39889 11.3169 5.99531 6.55202 12.4621 6.30721 numMergedOcc 0
10 mol 119 unq 3 iso 0 dist 8.95838 7.38295 7.39889 11.0075 7.44174 11.3169 11.2265 9.08536 14.443 6.20019 numMergedOcc 0
11 mol 119 unq 3 iso 1 dist 8.95838 11.0075 7.44174 7.38295 7.39889 11.3169 11.2265 9.08536 6.20019 14.443 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 8.95838 5.85391 9.63176 11.0075 7.44174 12.4603 5.99531 6.55202 6.9194 12.4621 numMergedOcc 0
13 mol 119 unq 2 iso 1 dist 8.95838 11.0075 7.44174 5.85391 9.63176 12.4603 5.99531 6.55202 12.4621 6.9194 numMergedOcc 0
14 mol 119 unq 3 iso 0 dist 8.95838 5.85391 9.63176 11.0075 7.44174 12.4603 11.2265 9.08536 9.68677 6.20019 numMergedOcc 0
15 mol 119 unq 3 iso 1 dist 8.95838 11.0075 7.44174 5.85391 9.63176 12.4603 11.2265 9.08536 6.20019 9.68677 numMergedOcc 0
16 mol 119 unq 4 iso 0 dist 9.47892 9.58951 7.39889 18.2257 9.63176 11.6667 13.9667 6.55202 6.30721 6.9194 numMergedOcc 0
17 mol 119 unq 4 iso 1 dist 9.47892 18.2257 9.63176 9.58951 7.39889 11.6667 13.9667 6.55202 6.9194 6.30721 numMergedOcc 0
18 mol 119 unq 5 iso 0 dist 9.47892 9.58951 7.39889 18.2257 9.63176 11.6667 15.453 9.08536 14.443 9.68677 numMergedOcc 0
19 mol 119 unq 5 iso 1 dist 9.47892 18.2257 9.63176 9.58951 7.39889 11.6667 15.453 9.08536 9.68677 14.443 numMergedOcc 0
20 mol 119 unq 6 iso 0 dist 9.47892 9.58951 7.39889 9.93013 7.44174 11.3169 13.9667 6.55202 6.30721 12.4621 numMergedOcc 0
21 mol 119 unq 6 iso 1 dist 9.47892 9.93013 7.44174 9.58951 7.39889 11.3169 13.9667 6.55202 12.4621 6.30721 numMergedOcc 0
22 mol 119 unq 7 iso 0 dist 9.47892 9.58951 7.39889 9.93013 7.44174 11.3169 15.453 9.08536 14.443 6.20019 numMergedOcc 0
23 mol 119 unq 7 iso 1 dist 9.47892 9.93013 7.44174 9.58951 7.39889 11.3169 15.453 9.08536 6.20019 14.443 numMergedOcc 0
24 mol 119 unq 6 iso 0 dist 9.47892 18.2257 9.63176 9.93013 7.44174 12.4603 13.9667 6.55202 6.9194 12.4621 numMergedOcc 0
25 mol 119 unq 6 iso 1 dist 9.47892 9.93013 7.44174 18.2257 9.63176 12.4603 13.9667 6.55202 12.4621 6.9194 numMergedOcc 0
26 mol 119 unq 7 iso 0 dist 9.47892 18.2257 9.63176 9.93013 7.44174 12.4603 15.453 9.08536 9.68677 6.20019 numMergedOcc 0
27 mol 119 unq 7 iso 1 dist 9.47892 9.93013 7.44174 18.2257 9.63176 12.4603 15.453 9.08536 6.20019 9.68677 numMergedOcc 0
28 mol 143 unq 0 iso 0 dist 9.43335 5.69675 7.31468 10.5005 7.7056 5.72828 5.36037 7.05845 7.63293 11.903 numMergedOcc 0
29 mol 143 unq 0 iso 1 dist 9.43335 10.5005 7.7056 5.69675 7.31468 5.72828 5.36037 7.05845 11.903 7.63293 numMergedOcc 0
30 mol 143 unq 1 iso 0 dist 9.9492 9.79072 7.31468 5.80488 7.7056 5.72828 15.3503 7.05845 7.63293 11.903 numMergedOcc 0
31 mol 143 unq 1 iso 1 dist 9.9492 5.80488 7.7056 9.79072 7.31468 5.72828 15.3503 7.05845 11.903 7.63293 numMergedOcc 0
32 mol 155 unq 0 iso 0 dist 8.02593 5.01007 7.39644 9.80448 7.36102 10.7616 5.05961 5.36254 7.10286 4.91785 numMergedOcc 0
33 mol 155 unq 0 iso 1 dist 8.02593 9.80448 7.36102 5.01007 7.39644 10.7616 5.05961 5.36254 4.91785 7.10286 numMergedOcc 0
34 mol 155 unq 1 iso 0 dist 8.77391 12.7814 7.39644 4.94973 7.36102 10.7616 5.68679 5.36254 7.10286 4.91785 numMergedOcc 0
35 mol 155 unq 1 iso 1 dist 8.77391 4.94973 7.36102 12.7814 7.39644 10.7616 5.68679 5.36254 4.91785 7.10286 numMergedOcc 0
36 mol 173 unq 0 iso 0 dist 9.56248 8.11337 7.93331 10.8336 6.98095 4.83994 15.8873 8.62366 12.4131 12.5815 numMergedOcc 0
37 mol 173 unq 0 iso 1 dist 9.56248 10.8336 6.98095 8.11337 7.93331 4.83994 15.8873 8.62366 12.5815 12.4131 numMergedOcc 0
38 mol 173 unq 1 iso 0 dist 9.56248 8.11337 7.93331 10.8336 6.98095 4.83994 14.9274 9.44973 8.85462 9.65654 numMergedOcc 0
39 mol 173 unq 1 iso 1 dist 9.56248 10.8336 6.98095 8.11337 7.93331 4.83994 14.9274 9.44973 9.65654 8.85462 numMergedOcc 0
40 mol 173 unq 2 iso 0 dist 9.56248 8.11337 7.93331 10.8336 6.98095 4.83994 9.35913 6.52508 6.91529 9.44845 numMergedOcc 0
41 mol 173 unq 2 iso 1 dist 9.56248 10.8336 6.98095 8.11337 7.93331 4.83994 9.35913 6.52508 9.44845 6.91529 numMergedOcc 0
42 mol 173 unq 3 iso 0 dist 9.56248 8.11337 7.93331 10.6484 8.31897 5.16343 15.8873 8.62366 12.4131 8.63452 numMergedOcc 0
43 mol 173 unq 3 iso 1 dist 9.56248 10.6484 8.31897 8.11337 7.93331 5.16343 15.8873 8.62366 8.63452 12.4131 numMergedOcc 0
44 mol 173 unq 4 iso 0 dist 9.56248 8.11337 7.93331 10.6484 8.31897 5.16343 14.9274 9.44973 8.85462 4.83786 numMergedOcc 0
45 mol 173 unq 4 iso 1 dist 9.56248 10.6484 8.31897 8.11337 7.93331 5.16343 14.9274 9.44973 4.83786 8.85462 numMergedOcc 0
46 mol 173 unq 5 iso 0 dist 9.56248 8.11337 7.93331 10.6484 8.31897 5.16343 9.35913 6.52508 6.91529 3.74688 numMergedOcc 0
47 mol 173 unq 5 iso 1 dist 9.56248 10.6484 8.31897 8.11337 7.93331 5.16343 9.35913 6.52508 3.74688 6.91529 numMergedOcc 0
48 mol 173 unq 3 iso 0 dist 9.56248 10.8336 6.98095 10.6484 8.31897 8.17887 15.8873 8.62366 12.5815 8.63452 numMergedOcc 0
49 mol 173 unq 3 iso 1 dist 9.56248 10.6484 8.31897 10.8336 6.98095 8.17887 15.8873 8.62366 8.63452 12.5815 numMergedOcc 0
50 mol 173 unq 4 iso 0 dist 9.56248 10.8336 6.98095 10.6484 8.31897 8.17887 14.9274 9.44973 9.65654 4.83786 numMergedOcc 0
51 mol 173 unq 4 iso 1 dist 9.56248 10.6484 8.31897 10.8336 6.98095 8.17887 14.9274 9.44973 4.83786 9.65654 numMergedOcc 0
52 mol 173 unq 5 iso 0 dist 9.56248 10.8336 6.98095 10.6484 8.31897 8.17887 9.35913 6.52508 9.44845 3.74688 numMergedOcc 0
53 mol 173 unq 5 iso 1 dist 9.56248 10.6484 8.31897 10.8336 6.98095 8.17887 9.35913 6.52508 3.74688 9.44845 numMergedOcc 0
54 mol 218 unq 0 iso 0 dist 7.90156 11.7195 7.17547 4.67327 7.13323 7.83217 11.2254 8.61306 15.6802 13.7327 numMergedOcc 0
55 mol 218 unq 0 iso 1 dist 7.90156 4.67327 7.13323 11.7195 7.17547 7.83217 11.2254 8.61306 13.7327 15.6802 numMergedOcc 0
56 mol 238 unq 0 iso 0 dist 9.94175 13.8985 5.38637 14.9782 6.55759 5.42006 10.2069 9.38131 13.378 10.4966 numMergedOcc 0
57 mol 238 unq 0 iso 1 dist 9.94175 14.9782 6.55759 13.8985 5.38637 5.42006 10.2069 9.38131 10.4966 13.378 numMergedOcc 0
58 mol 238 unq 1 iso 0 dist 8.81534 5.33567 5.38637 9.85437 6.55759 5.42006 16.1646 9.38131 13.378 10.4966 numMergedOcc 0
59 mol 238 unq 1 iso 1 dist 8.81534 9.85437 6.55759 5.33567 5.38637 5.42006 16.1646 9.38131 10.4966 13.378 numMergedOcc 0
60 mol 238 unq 2 iso 0 dist 6.24435 6.76977 6.05141 10.4548 8.09066 5.6348 11.7967 8.69525 5.27215 6.13368 numMergedOcc 0
61 mol 238 unq 2 iso 1 dist 6.24435 10.4548 8.09066 6.76977 6.05141 5.6348 11.7967 8.69525 6.13368 5.27215 numMergedOcc 0
62 mol 238 unq 3 iso 0 dist 6.24435 6.76977 6.05141 10.7712 7.2766 8.87326 11.7967 8.69525 5.27215 10.0605 numMergedOcc 0
63 mol 238 unq 3 iso 1 dist 6.24435 10.7712 7.2766 6.76977 6.05141 8.87326 11.7967 8.69525 10.0605 5.27215 numMergedOcc 0
64 mol 238 unq 3 iso 0 dist 6.24435 10.4548 8.09066 10.7712 7.2766 5.31152 11.7967 8.69525 6.13368 10.0605 numMergedOcc 0
65 mol 238 unq 3 iso 1 dist 6.24435 10.7712 7.2766 10.4548 8.09066 5.31152 11.7967 8.69525 10.0605 6.13368 numMergedOcc 0
66 mol 259 unq 0 iso 0 dist 9.53092 4.77548 7.48005 12.7699 8.37865 12.5353 9.92544 8.84648 10.282 4.04513 numMergedOcc 0
67 mol 259 unq 0 iso 1 dist 9.53092 12.7699 8.37865 4.77548 7.48005 12.5353 9.92544 8.84648 4.04513 10.282 numMergedOcc 0
68 mol 259 unq 1 iso 0 dist 9.53092 4.77548 7.48005 12.7699 8.37865 12.5353 12.9171 6.23661 10.067 7.09907 numMergedOcc 0
69 mol 259 unq 1 iso 1 dist 9.53092 12.7699 8.37865 4.77548 7.48005 12.5353 12.9171 6.23661 7.09907 10.067 numMergedOcc 0
70 mol 282 unq 0 iso 0 dist 9.20119 12.5533 6.85028 14.3567 7.32347 5.39891 10.9015 7.52924 4.57104 5.29852 numMergedOcc 0
71 mol 282 unq 0 iso 1 dist 9.20119 14.3567 7.32347 12.5533 6.85028 5.39891 10.9015 7.52924 5.29852 4.57104 numMergedOcc 0
72 mol 282 unq 1 iso 0 dist 9.20119 12.5533 6.85028 6.32603 8.3411 7.76539 10.9015 7.52924 4.57104 5.80572 numMergedOcc 0
73 mol 282 unq 1 iso 1 dist 9.20119 6.32603 8.3411 12.5533 6.85028 7.76539 10.9015 7.52924 5.80572 4.57104 numMergedOcc 0
74 mol 282 unq 1 iso 0 dist 9.20119 14.3567 7.32347 6.32603 8.3411 10.5372 10.9015 7.52924 5.29852 5.80572 numMergedOcc 0
75 mol 282 unq 1 iso 1 dist 9.20119 6.32603 8.3411 14.3567 7.32347 10.5372 10.9015 7.52924 5.80572 5.29852 numMergedOcc 0
76 mol 282 unq 2 iso 0 dist 8.96997 4.64783 6.85028 10.0286 7.32347 5.39891 7.77671 7.52924 4.57104 5.29852 numMergedOcc 0
77 mol 282 unq 2 iso 1 dist 8.96997 10.0286 7.32347 4.64783 6.85028 5.39891 7.77671 7.52924 5.29852 4.57104 numMergedOcc 0
78 mol 282 unq 3 iso 0 dist 8.96997 4.64783 6.85028 7.65702 8.3411 7.76539 7.77671 7.52924 4.57104 5.80572 numMergedOcc 0
79 mol 282 unq 3 iso 1 dist 8.96997 7.65702 8.3411 4.64783 6.85028 7.76539 7.77671 7.52924 5.80572 4.57104 numMergedOcc 0
80 mol 282 unq 3 iso 0 dist 8.96997 10.0286 7.32347 7.65702 8.3411 10.5372 7.77671 7.52924 5.29852 5.80572 numMergedOcc 0
81 mol 282 unq 3 iso 1 dist 8.96997 7.65702 8.3411 10.0286 7.32347 10.5372 7.77671 7.52924 5.80572 5.29852 numMergedOcc 0
