0 mol 9 unq 0 iso 0 dist 8.77049 9.8978 6.0397 11.3797 6.33889 9.62394 6.67398 7.2199 9.57198 5.60154 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 6.95341 6.26276 6.0397 11.7623 6.33889 9.62394 9.03359 7.2199 9.57198 5.60154 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.62693 9.27369 4.98603 10.2609 8.82012 6.46104 10.1809 11.0822 7.3022 11.0099 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.62693 9.27369 4.98603 8.18809 10.9838 7.36856 10.1809 11.0822 7.3022 4.74747 numMergedOcc 0
4 mol 27 unq 0 iso 0 dist 9.19658 7.42669 7.47886 4.91484 12.4741 9.52474 8.05284 8.11206 7.60283 7.50515 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 7.09641 6.94677 5.11693 8.42799 13.141 9.25641 7.43727 11.022 7.46994 5.94559 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.9344 7.31633 6.27692 5.36939 9.65709 7.56378 6.2062 5.99299 7.34698 4.68409 numMergedOcc 0
7 mol 148 unq 0 iso 0 dist 8.07915 9.80819 16.3259 9.27313 16.6325 6.22055 11.6995 19.2393 9.73927 10.2478 numMergedOcc 0
8 mol 148 unq 1 iso 0 dist 8.07915 9.80819 16.3259 12.8573 20.8635 8.18085 11.6995 19.2393 9.73927 6.84291 numMergedOcc 0
9 mol 150 unq 0 iso 0 dist 7.97801 9.81665 16.2236 9.25213 16.5696 6.14675 11.8035 19.1689 9.66129 10.2318 numMergedOcc 0
10 mol 150 unq 1 iso 0 dist 7.97801 9.81665 16.2236 12.8265 20.7181 7.94889 11.8035 19.1689 9.66129 6.79619 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 8.45395 5.66363 4.43678 9.47799 6.94688 8.90963 7.58472 8.20656 5.95304 8.25067 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 9.15368 5.97968 4.43678 9.09989 6.94688 8.90963 4.24915 8.20656 5.95304 8.25067 numMergedOcc 0
13 mol 181 unq 2 iso 0 dist 9.20477 8.63119 4.43678 4.98009 6.94688 8.90963 5.70246 8.20656 5.95304 8.25067 numMergedOcc 0
14 mol 181 unq 3 iso 0 dist 5.41368 5.66363 6.03415 9.47799 6.71012 8.90963 7.58472 9.40622 5.95304 8.25067 numMergedOcc 0
15 mol 181 unq 4 iso 0 dist 7.96182 5.97968 6.03415 9.09989 6.71012 8.90963 4.24915 9.40622 5.95304 8.25067 numMergedOcc 0
16 mol 181 unq 5 iso 0 dist 7.90237 8.63119 6.03415 4.98009 6.71012 8.90963 5.70246 9.40622 5.95304 8.25067 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 8.53888 8.55613 4.78857 11.7757 11.6922 7.49645 10.4928 9.1101 7.12785 5.70464 numMergedOcc 0
18 mol 243 unq 1 iso 0 dist 8.53888 8.55613 4.78857 11.7757 11.6922 7.49645 4.20431 8.93338 6.66959 7.83758 numMergedOcc 0
19 mol 243 unq 2 iso 0 dist 8.53888 8.55613 4.78857 11.9474 14.3564 9.9222 10.4928 9.1101 7.12785 10.3961 numMergedOcc 0
20 mol 243 unq 3 iso 0 dist 8.53888 8.55613 4.78857 11.9474 14.3564 9.9222 4.20431 8.93338 6.66959 7.8399 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 9.94507 7.76945 7.39076 5.25853 11.8107 8.91712 4.26276 10.73 5.59555 4.62998 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 9.94507 7.76945 7.39076 7.19628 14.2256 9.65934 4.26276 10.73 5.59555 7.23534 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 9.94507 7.76945 7.39076 5.25853 11.8107 8.91712 4.26276 10.73 5.59555 4.62998 numMergedOcc 0
24 mol 288 unq 1 iso 0 dist 9.94507 7.76945 7.39076 7.19628 14.2256 9.65934 4.26276 10.73 5.59555 7.23534 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 9.94507 7.76945 7.39076 5.25853 11.8107 8.91712 4.26276 10.73 5.59555 4.62998 numMergedOcc 0
26 mol 289 unq 1 iso 0 dist 9.94507 7.76945 7.39076 7.19628 14.2256 9.65934 4.26276 10.73 5.59555 7.23534 numMergedOcc 0
