0 mol 15 unq 0 iso 0 dist 6.88546 5.63041 5.89412 11.1852 6.23015 6.91314 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 6.88546 13.452 7.07399 11.1852 6.23015 5.49251 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 5.36911 6.05535 6.72833 5.37568 5.94982 6.86055 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 5.36911 5.72175 6.93532 5.37568 5.94982 5.01101 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.3964 14.959 8.4051 10.4819 6.61696 10.1698 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.3964 14.959 8.4051 5.61248 5.80953 13.6174 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.3964 7.79468 7.29868 10.4819 6.61696 8.91183 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 8.3964 7.79468 7.29868 5.61248 5.80953 5.69214 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 8.3964 9.85198 8.60554 10.4819 6.61696 14.8647 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 8.3964 9.85198 8.60554 5.61248 5.80953 5.11636 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 7.06532 5.75653 8.23446 5.42563 9.33304 5.73029 numMergedOcc 0
11 mol 24 unq 7 iso 0 dist 7.06532 5.75653 8.23446 6.87351 4.5711 6.28159 numMergedOcc 0
12 mol 24 unq 8 iso 0 dist 7.06532 5.75653 8.23446 7.79018 4.44526 5.50396 numMergedOcc 0
13 mol 25 unq 0 iso 0 dist 8.61491 13.395 6.85556 10.8815 6.29797 5.86705 numMergedOcc 0
14 mol 41 unq 0 iso 0 dist 6.07294 8.85978 8.51663 6.02913 6.21128 13.4019 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 6.66506 12.8388 9.24757 14.7163 8.96616 6.20232 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 6.66506 12.8388 9.24757 11.5216 6.14542 5.70116 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 9.18097 10.5346 9.82915 8.08787 5.05893 11.9064 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 9.18097 10.5346 9.82915 10.4844 5.71866 14.7521 numMergedOcc 0
19 mol 85 unq 2 iso 0 dist 8.83135 18.2314 9.82915 11.053 5.05893 11.9064 numMergedOcc 0
20 mol 85 unq 3 iso 0 dist 8.83135 18.2314 9.82915 7.97629 5.71866 14.7521 numMergedOcc 0
21 mol 91 unq 0 iso 0 dist 6.93893 14.4094 9.30539 5.09341 8.77355 12.6799 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 6.67326 5.81718 6.73586 6.31352 8.67537 4.39676 numMergedOcc 0
23 mol 129 unq 0 iso 0 dist 6.48695 5.99695 4.97175 6.57177 9.35533 6.16616 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 6.4751 8.67611 6.64834 15.1472 9.34834 8.99935 numMergedOcc 0
25 mol 171 unq 1 iso 0 dist 6.4751 8.67611 6.64834 10.2839 5.74846 7.15048 numMergedOcc 0
26 mol 171 unq 2 iso 0 dist 6.4751 9.28655 5.93786 15.1472 9.34834 9.35703 numMergedOcc 0
27 mol 171 unq 3 iso 0 dist 6.4751 9.28655 5.93786 10.2839 5.74846 9.14311 numMergedOcc 0
28 mol 171 unq 4 iso 0 dist 6.4751 10.4021 8.24693 15.1472 9.34834 14.4375 numMergedOcc 0
29 mol 171 unq 5 iso 0 dist 6.4751 10.4021 8.24693 10.2839 5.74846 13.6262 numMergedOcc 0
30 mol 171 unq 6 iso 0 dist 6.4751 11.8046 7.36698 15.1472 9.34834 4.66982 numMergedOcc 0
31 mol 171 unq 7 iso 0 dist 6.4751 11.8046 7.36698 10.2839 5.74846 3.65288 numMergedOcc 0
32 mol 194 unq 0 iso 0 dist 8.09776 10.977 6.72379 11.8568 9.00322 4.66791 numMergedOcc 0
33 mol 194 unq 1 iso 0 dist 5.4455 13.445 8.65535 5.39223 4.19371 10.0756 numMergedOcc 0
34 mol 194 unq 2 iso 0 dist 5.4455 13.445 8.65535 7.15294 9.71015 16.4082 numMergedOcc 0
35 mol 194 unq 3 iso 0 dist 6.57575 11.4562 6.72379 14.4463 9.00322 4.66791 numMergedOcc 0
36 mol 194 unq 4 iso 0 dist 9.30761 5.55582 6.72379 9.43879 9.00322 4.66791 numMergedOcc 0
37 mol 195 unq 0 iso 0 dist 9.25935 7.00308 7.36683 4.79025 6.22742 5.41635 numMergedOcc 0
38 mol 195 unq 1 iso 0 dist 9.25935 5.34788 9.26504 4.79025 6.22742 6.04871 numMergedOcc 0
39 mol 204 unq 0 iso 0 dist 8.82861 9.54287 7.32294 5.99091 9.48625 5.57347 numMergedOcc 0
40 mol 206 unq 0 iso 0 dist 8.2232 5.37531 8.07687 11.187 8.24419 10.6496 numMergedOcc 0
41 mol 206 unq 1 iso 0 dist 6.07229 7.78332 8.07687 7.49802 8.24419 10.6496 numMergedOcc 0
42 mol 232 unq 0 iso 0 dist 8.27761 10.1991 8.50102 13.0806 9.9183 9.74344 numMergedOcc 0
43 mol 232 unq 1 iso 0 dist 8.27761 13.7819 9.40808 13.0806 9.9183 5.10213 numMergedOcc 0
44 mol 232 unq 2 iso 0 dist 9.25162 16.9877 9.05071 12.9179 6.59036 5.42461 numMergedOcc 0
45 mol 244 unq 0 iso 0 dist 9.97458 10.5547 5.50492 8.65358 6.53416 6.1597 numMergedOcc 0
46 mol 279 unq 0 iso 0 dist 5.94449 7.7504 9.09855 6.08238 8.98854 4.14939 numMergedOcc 0
47 mol 279 unq 1 iso 0 dist 7.66302 11.8697 7.23721 6.08238 9.42255 10.7629 numMergedOcc 0
48 mol 292 unq 0 iso 0 dist 8.67838 11.3822 9.88863 14.3247 8.6233 5.94 numMergedOcc 0
