0 mol 1 unq 0 iso 0 dist 9.56692 7.42008 9.44115 4.86523 5.96833 5.21705 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.56692 5.96722 7.90928 4.86523 5.96833 5.06184 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.11402 11.4929 8.62693 6.29981 5.84066 5.23054 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 9.62318 8.47551 7.88576 4.36156 7.11053 5.78495 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 7.60482 6.50138 5.67098 3.82305 9.35784 6.24306 numMergedOcc 0
5 mol 56 unq 1 iso 0 dist 7.60482 10.8611 8.58218 3.82305 9.35784 9.63592 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 6.96665 7.90807 7.09641 10.8066 9.92638 7.69571 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 8.57393 8.59074 5.70192 11.5706 8.96498 3.77705 numMergedOcc 0
8 mol 67 unq 1 iso 0 dist 8.57393 8.59074 5.70192 10.8492 7.5228 11.7466 numMergedOcc 0
9 mol 67 unq 2 iso 0 dist 8.57393 10.4436 7.65646 11.5706 8.96498 7.64337 numMergedOcc 0
10 mol 67 unq 3 iso 0 dist 8.57393 10.4436 7.65646 10.8492 7.5228 10.1845 numMergedOcc 0
11 mol 67 unq 4 iso 0 dist 6.04885 8.36652 5.70192 12.0478 8.96498 3.77705 numMergedOcc 0
12 mol 67 unq 5 iso 0 dist 6.04885 8.36652 5.70192 4.27973 7.5228 11.7466 numMergedOcc 0
13 mol 67 unq 6 iso 0 dist 6.04885 6.53985 7.65646 12.0478 8.96498 7.64337 numMergedOcc 0
14 mol 67 unq 7 iso 0 dist 6.04885 6.53985 7.65646 4.27973 7.5228 10.1845 numMergedOcc 0
15 mol 78 unq 0 iso 0 dist 5.86276 5.93341 9.4909 6.12049 5.47706 11.0011 numMergedOcc 0
16 mol 78 unq 1 iso 0 dist 5.86276 5.93341 9.4909 4.94803 8.89842 10.0477 numMergedOcc 0
17 mol 78 unq 2 iso 0 dist 5.86276 5.93341 9.4909 12.8531 8.07568 16.0481 numMergedOcc 0
18 mol 78 unq 3 iso 0 dist 5.86276 9.48025 9.15288 6.12049 5.47706 7.72904 numMergedOcc 0
19 mol 78 unq 4 iso 0 dist 5.86276 9.48025 9.15288 4.94803 8.89842 13.6432 numMergedOcc 0
20 mol 78 unq 5 iso 0 dist 5.86276 9.48025 9.15288 12.8531 8.07568 9.64221 numMergedOcc 0
21 mol 78 unq 6 iso 0 dist 8.16546 14.472 9.4909 8.07529 5.47706 11.0011 numMergedOcc 0
22 mol 78 unq 7 iso 0 dist 8.16546 14.472 9.4909 6.52163 8.89842 10.0477 numMergedOcc 0
23 mol 78 unq 8 iso 0 dist 8.16546 14.472 9.4909 12.9164 8.07568 16.0481 numMergedOcc 0
24 mol 78 unq 9 iso 0 dist 8.16546 15.4424 9.15288 8.07529 5.47706 7.72904 numMergedOcc 0
25 mol 78 unq 10 iso 0 dist 8.16546 15.4424 9.15288 6.52163 8.89842 13.6432 numMergedOcc 0
26 mol 78 unq 11 iso 0 dist 8.16546 15.4424 9.15288 12.9164 8.07568 9.64221 numMergedOcc 0
27 mol 95 unq 0 iso 0 dist 6.65315 5.17317 6.64631 6.43646 9.51318 8.97717 numMergedOcc 0
28 mol 95 unq 1 iso 0 dist 6.65315 5.17317 6.64631 5.80449 9.84457 10.5689 numMergedOcc 0
29 mol 115 unq 0 iso 0 dist 6.53104 7.85305 5.58063 5.94916 7.65255 8.29196 numMergedOcc 0
30 mol 117 unq 0 iso 0 dist 9.08874 10.1416 9.58171 6.7159 9.94053 5.61881 numMergedOcc 0
31 mol 119 unq 0 iso 0 dist 9.87854 13.3215 8.95838 14.5706 6.55202 5.99531 numMergedOcc 0
32 mol 119 unq 1 iso 0 dist 9.87854 13.3215 8.95838 11.9181 9.08536 11.2265 numMergedOcc 0
33 mol 119 unq 2 iso 0 dist 9.87854 6.17994 9.47892 14.5706 6.55202 13.9667 numMergedOcc 0
34 mol 119 unq 3 iso 0 dist 9.87854 6.17994 9.47892 11.9181 9.08536 15.453 numMergedOcc 0
35 mol 148 unq 0 iso 0 dist 6.3102 5.92269 8.07915 8.93277 8.42899 5.4632 numMergedOcc 0
36 mol 150 unq 0 iso 0 dist 6.25629 5.95123 7.97801 8.91488 8.33721 5.36078 numMergedOcc 0
37 mol 195 unq 0 iso 0 dist 5.30018 7.45055 7.63511 5.74211 5.87439 3.7157 numMergedOcc 0
38 mol 197 unq 0 iso 0 dist 9.69154 9.71601 8.32685 10.0898 9.27218 15.7632 numMergedOcc 0
39 mol 197 unq 1 iso 0 dist 9.69154 13.0921 6.74777 10.0898 9.27218 15.6628 numMergedOcc 0
40 mol 197 unq 2 iso 0 dist 9.69154 17.3782 9.62514 10.0898 9.27218 18.7224 numMergedOcc 0
41 mol 197 unq 3 iso 0 dist 9.49122 15.0474 8.32685 13.0947 9.27218 15.7632 numMergedOcc 0
42 mol 197 unq 4 iso 0 dist 9.49122 13.8252 6.74777 13.0947 9.27218 15.6628 numMergedOcc 0
43 mol 197 unq 5 iso 0 dist 9.49122 14.2846 9.62514 13.0947 9.27218 18.7224 numMergedOcc 0
44 mol 204 unq 0 iso 0 dist 5.29147 5.47316 9.86352 6.59905 8.66162 7.60521 numMergedOcc 0
45 mol 238 unq 0 iso 0 dist 6.54661 5.22428 9.94175 6.13838 9.38131 10.2069 numMergedOcc 0
46 mol 238 unq 1 iso 0 dist 6.54661 11.6082 8.81534 6.13838 9.38131 16.1646 numMergedOcc 0
47 mol 248 unq 0 iso 0 dist 9.59898 8.43114 8.97536 6.29802 8.07962 3.67057 numMergedOcc 0
