0 mol 1 unq 0 iso 0 dist 9.56692 7.42008 9.44115 8.19374 8.56884 6.44928 4.86523 5.96833 5.21705 4.50502 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.56692 5.96722 7.90928 8.19374 8.56884 6.35409 4.86523 5.96833 5.06184 4.50502 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.11402 11.4929 8.62693 3.99573 8.82012 10.2609 6.29981 5.84066 5.23054 5.56139 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.11402 11.4929 8.62693 14.3932 9.16962 4.09495 6.29981 5.84066 5.23054 8.25132 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 9.62318 8.47551 7.88576 13.2245 8.68559 14.4244 4.36156 7.11053 5.78495 10.7345 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 5.86276 5.93341 9.4909 5.46279 8.30646 8.66126 6.12049 5.47706 11.0011 4.77202 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 5.86276 5.93341 9.4909 5.46279 8.30646 8.66126 4.94803 8.89842 10.0477 8.12982 numMergedOcc 0
7 mol 78 unq 2 iso 0 dist 5.86276 5.93341 9.4909 5.46279 8.30646 8.66126 12.8531 8.07568 16.0481 11.8801 numMergedOcc 0
8 mol 78 unq 3 iso 0 dist 5.86276 9.48025 9.15288 5.46279 8.30646 6.38702 6.12049 5.47706 7.72904 4.77202 numMergedOcc 0
9 mol 78 unq 4 iso 0 dist 5.86276 9.48025 9.15288 5.46279 8.30646 6.38702 4.94803 8.89842 13.6432 8.12982 numMergedOcc 0
10 mol 78 unq 5 iso 0 dist 5.86276 9.48025 9.15288 5.46279 8.30646 6.38702 12.8531 8.07568 9.64221 11.8801 numMergedOcc 0
11 mol 78 unq 6 iso 0 dist 8.16546 14.472 9.4909 11.3763 8.30646 8.66126 8.07529 5.47706 11.0011 4.77202 numMergedOcc 0
12 mol 78 unq 7 iso 0 dist 8.16546 14.472 9.4909 11.3763 8.30646 8.66126 6.52163 8.89842 10.0477 8.12982 numMergedOcc 0
13 mol 78 unq 8 iso 0 dist 8.16546 14.472 9.4909 11.3763 8.30646 8.66126 12.9164 8.07568 16.0481 11.8801 numMergedOcc 0
14 mol 78 unq 9 iso 0 dist 8.16546 15.4424 9.15288 11.3763 8.30646 6.38702 8.07529 5.47706 7.72904 4.77202 numMergedOcc 0
15 mol 78 unq 10 iso 0 dist 8.16546 15.4424 9.15288 11.3763 8.30646 6.38702 6.52163 8.89842 13.6432 8.12982 numMergedOcc 0
16 mol 78 unq 11 iso 0 dist 8.16546 15.4424 9.15288 11.3763 8.30646 6.38702 12.9164 8.07568 9.64221 11.8801 numMergedOcc 0
17 mol 95 unq 0 iso 0 dist 6.65315 5.17317 6.64631 4.6558 8.67367 3.96825 6.43646 9.51318 8.97717 10.2625 numMergedOcc 0
18 mol 95 unq 1 iso 0 dist 6.65315 5.17317 6.64631 4.6558 8.67367 3.96825 5.80449 9.84457 10.5689 10.2496 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 6.53104 7.85305 5.58063 10.1501 7.64585 5.24961 5.94916 7.65255 8.29196 6.95773 numMergedOcc 0
20 mol 117 unq 0 iso 0 dist 9.08874 10.1416 9.58171 7.07738 6.62561 10.4485 6.7159 9.94053 5.61881 7.20875 numMergedOcc 0
21 mol 117 unq 1 iso 0 dist 9.08874 10.1416 9.58171 4.8798 7.63616 5.27151 6.7159 9.94053 5.61881 3.77029 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 9.87854 13.3215 8.95838 10.7944 7.39889 7.38295 14.5706 6.55202 5.99531 6.30721 numMergedOcc 0
23 mol 119 unq 1 iso 0 dist 9.87854 13.3215 8.95838 10.7944 7.39889 7.38295 11.9181 9.08536 11.2265 14.443 numMergedOcc 0
24 mol 119 unq 2 iso 0 dist 9.87854 13.3215 8.95838 16.5599 9.63176 5.85391 14.5706 6.55202 5.99531 6.9194 numMergedOcc 0
25 mol 119 unq 3 iso 0 dist 9.87854 13.3215 8.95838 16.5599 9.63176 5.85391 11.9181 9.08536 11.2265 9.68677 numMergedOcc 0
26 mol 119 unq 4 iso 0 dist 9.87854 13.3215 8.95838 5.72463 7.44174 11.0075 14.5706 6.55202 5.99531 12.4621 numMergedOcc 0
27 mol 119 unq 5 iso 0 dist 9.87854 13.3215 8.95838 5.72463 7.44174 11.0075 11.9181 9.08536 11.2265 6.20019 numMergedOcc 0
28 mol 119 unq 6 iso 0 dist 9.87854 6.17994 9.47892 10.7944 7.39889 9.58951 14.5706 6.55202 13.9667 6.30721 numMergedOcc 0
29 mol 119 unq 7 iso 0 dist 9.87854 6.17994 9.47892 10.7944 7.39889 9.58951 11.9181 9.08536 15.453 14.443 numMergedOcc 0
30 mol 119 unq 8 iso 0 dist 9.87854 6.17994 9.47892 16.5599 9.63176 18.2257 14.5706 6.55202 13.9667 6.9194 numMergedOcc 0
31 mol 119 unq 9 iso 0 dist 9.87854 6.17994 9.47892 16.5599 9.63176 18.2257 11.9181 9.08536 15.453 9.68677 numMergedOcc 0
32 mol 119 unq 10 iso 0 dist 9.87854 6.17994 9.47892 5.72463 7.44174 9.93013 14.5706 6.55202 13.9667 12.4621 numMergedOcc 0
33 mol 119 unq 11 iso 0 dist 9.87854 6.17994 9.47892 5.72463 7.44174 9.93013 11.9181 9.08536 15.453 6.20019 numMergedOcc 0
34 mol 195 unq 0 iso 0 dist 5.30018 7.45055 7.63511 4.95483 8.36117 8.97729 5.74211 5.87439 3.7157 6.04871 numMergedOcc 0
35 mol 197 unq 0 iso 0 dist 9.69154 9.71601 8.32685 17.1306 8.99696 10.5326 10.0898 9.27218 15.7632 17.0276 numMergedOcc 0
36 mol 197 unq 1 iso 0 dist 9.69154 13.0921 6.74777 17.1306 8.99696 5.29309 10.0898 9.27218 15.6628 17.0276 numMergedOcc 0
37 mol 197 unq 2 iso 0 dist 9.69154 17.3782 9.62514 17.1306 8.99696 4.57437 10.0898 9.27218 18.7224 17.0276 numMergedOcc 0
38 mol 197 unq 3 iso 0 dist 9.49122 15.0474 8.32685 15.7335 8.99696 10.5326 13.0947 9.27218 15.7632 17.0276 numMergedOcc 0
39 mol 197 unq 4 iso 0 dist 9.49122 13.8252 6.74777 15.7335 8.99696 5.29309 13.0947 9.27218 15.6628 17.0276 numMergedOcc 0
40 mol 197 unq 5 iso 0 dist 9.49122 14.2846 9.62514 15.7335 8.99696 4.57437 13.0947 9.27218 18.7224 17.0276 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 6.54661 5.22428 9.94175 10.4397 5.38637 13.8985 6.13838 9.38131 10.2069 13.378 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 6.54661 5.22428 9.94175 10.1821 6.55759 14.9782 6.13838 9.38131 10.2069 10.4966 numMergedOcc 0
43 mol 238 unq 2 iso 0 dist 6.54661 11.6082 8.81534 10.4397 5.38637 5.33567 6.13838 9.38131 16.1646 13.378 numMergedOcc 0
44 mol 238 unq 3 iso 0 dist 6.54661 11.6082 8.81534 10.1821 6.55759 9.85437 6.13838 9.38131 16.1646 10.4966 numMergedOcc 0
