0 mol 17 unq 0 iso 0 dist 9.99682 9.55169 16.8919 9.45609 4.52169 18.1851 numMergedOcc 0
1 mol 17 unq 0 iso 1 dist 9.99682 9.45609 4.52169 9.55169 16.8919 18.1851 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 9.38298 9.55169 13.5023 9.45609 14.3796 18.1851 numMergedOcc 0
3 mol 17 unq 1 iso 1 dist 9.38298 9.45609 14.3796 9.55169 13.5023 18.1851 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 7.03345 9.27448 10.9099 9.07927 9.39124 6.23352 numMergedOcc 0
5 mol 25 unq 0 iso 1 dist 7.03345 9.07927 9.39124 9.27448 10.9099 6.23352 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 7.03345 9.27448 10.9099 8.50987 7.11047 9.85159 numMergedOcc 0
7 mol 25 unq 1 iso 1 dist 7.03345 8.50987 7.11047 9.27448 10.9099 9.85159 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 7.03345 9.07927 9.39124 8.50987 7.11047 4.51512 numMergedOcc 0
9 mol 25 unq 1 iso 1 dist 7.03345 8.50987 7.11047 9.07927 9.39124 4.51512 numMergedOcc 0
10 mol 25 unq 2 iso 0 dist 5.2296 9.27448 11.1747 9.07927 11.898 6.23352 numMergedOcc 0
11 mol 25 unq 2 iso 1 dist 5.2296 9.07927 11.898 9.27448 11.1747 6.23352 numMergedOcc 0
12 mol 25 unq 3 iso 0 dist 5.2296 9.27448 11.1747 8.50987 10.7715 9.85159 numMergedOcc 0
13 mol 25 unq 3 iso 1 dist 5.2296 8.50987 10.7715 9.27448 11.1747 9.85159 numMergedOcc 0
14 mol 25 unq 3 iso 0 dist 5.2296 9.07927 11.898 8.50987 10.7715 4.51512 numMergedOcc 0
15 mol 25 unq 3 iso 1 dist 5.2296 8.50987 10.7715 9.07927 11.898 4.51512 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 7.40481 9.58693 4.75433 9.48388 16.7643 17.7405 numMergedOcc 0
17 mol 98 unq 0 iso 1 dist 7.40481 9.48388 16.7643 9.58693 4.75433 17.7405 numMergedOcc 0
18 mol 101 unq 0 iso 0 dist 8.70947 8.23251 4.59715 7.42893 9.80321 8.13019 numMergedOcc 0
19 mol 101 unq 0 iso 1 dist 8.70947 7.42893 9.80321 8.23251 4.59715 8.13019 numMergedOcc 0
20 mol 197 unq 0 iso 0 dist 9.92707 7.18765 6.04016 7.41091 7.31611 5.43601 numMergedOcc 0
21 mol 197 unq 0 iso 1 dist 9.92707 7.41091 7.31611 7.18765 6.04016 5.43601 numMergedOcc 0
22 mol 197 unq 1 iso 0 dist 6.22734 7.18765 7.17757 7.41091 5.75906 5.43601 numMergedOcc 0
23 mol 197 unq 1 iso 1 dist 6.22734 7.41091 5.75906 7.18765 7.17757 5.43601 numMergedOcc 0
24 mol 243 unq 0 iso 0 dist 9.87759 8.19458 7.84735 9.45133 9.66206 5.07774 numMergedOcc 0
25 mol 243 unq 0 iso 1 dist 9.87759 9.45133 9.66206 8.19458 7.84735 5.07774 numMergedOcc 0
26 mol 243 unq 1 iso 0 dist 6.0854 8.19458 7.07529 9.45133 9.86055 5.07774 numMergedOcc 0
27 mol 243 unq 1 iso 1 dist 6.0854 9.45133 9.86055 8.19458 7.07529 5.07774 numMergedOcc 0
28 mol 243 unq 2 iso 0 dist 7.86504 8.19458 4.67674 9.45133 5.00798 5.07774 numMergedOcc 0
29 mol 243 unq 2 iso 1 dist 7.86504 9.45133 5.00798 8.19458 4.67674 5.07774 numMergedOcc 0
30 mol 249 unq 0 iso 0 dist 6.88579 9.0157 9.37444 9.14351 14.2876 8.34718 numMergedOcc 0
31 mol 249 unq 0 iso 1 dist 6.88579 9.14351 14.2876 9.0157 9.37444 8.34718 numMergedOcc 0
32 mol 249 unq 1 iso 0 dist 7.30848 9.0157 9.92121 9.14351 12.8314 8.34718 numMergedOcc 0
33 mol 249 unq 1 iso 1 dist 7.30848 9.14351 12.8314 9.0157 9.92121 8.34718 numMergedOcc 0
34 mol 257 unq 0 iso 0 dist 8.68995 5.16581 4.91688 5.13633 6.25954 5.74182 numMergedOcc 0
35 mol 257 unq 0 iso 1 dist 8.68995 5.13633 6.25954 5.16581 4.91688 5.74182 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 6.95552 8.26503 6.96581 9.80417 5.38982 10.7374 numMergedOcc 0
37 mol 258 unq 0 iso 1 dist 6.95552 9.80417 5.38982 8.26503 6.96581 10.7374 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 8.23483 6.02089 5.08702 6.87804 11.5813 11.8061 numMergedOcc 0
39 mol 292 unq 0 iso 1 dist 8.23483 6.87804 11.5813 6.02089 5.08702 11.8061 numMergedOcc 0
