0 mol 30 unq 0 iso 0 dist 7.83595 7.75449 5.38833 8.90581 5.02236 6.37795 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 6.04551 8.69374 7.92359 6.8073 6.62574 13.2875 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 6.04551 8.69374 7.92359 5.60663 9.48836 9.44799 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 6.31161 8.69374 5.59983 6.8073 12.2137 13.2875 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 6.31161 8.69374 5.59983 5.60663 5.2902 9.44799 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 9.35912 9.25631 14.1737 5.55574 8.07336 12.2845 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 5.78962 9.00799 7.15588 6.93893 9.0185 11.0296 numMergedOcc 0
7 mol 91 unq 1 iso 0 dist 5.78962 6.29207 8.74291 6.93893 9.0185 6.59567 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.95726 9.20544 13.1021 7.81731 4.69874 11.2619 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 9.18835 8.03269 13.298 5.12002 10.1606 5.44186 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 9.18835 8.03269 13.298 8.46914 5.30162 9.64456 numMergedOcc 0
11 mol 120 unq 2 iso 0 dist 9.18835 6.55349 9.29137 5.12002 10.1606 4.58032 numMergedOcc 0
12 mol 120 unq 3 iso 0 dist 9.18835 6.55349 9.29137 8.46914 5.30162 5.92549 numMergedOcc 0
13 mol 123 unq 0 iso 0 dist 9.86842 8.74958 12.8839 9.04549 4.86652 10.3077 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 8.954 9.98649 10.8238 6.80226 4.55978 6.49195 numMergedOcc 0
15 mol 162 unq 1 iso 0 dist 8.98459 7.98503 6.79626 9.31025 5.76291 11.5377 numMergedOcc 0
16 mol 162 unq 2 iso 0 dist 8.98459 7.80955 8.44832 9.31025 5.76291 8.06906 numMergedOcc 0
17 mol 162 unq 3 iso 0 dist 8.98459 7.93307 13.1065 9.31025 5.76291 15.1574 numMergedOcc 0
18 mol 165 unq 0 iso 0 dist 9.59989 4.46402 11.4693 5.79029 9.33914 3.64317 numMergedOcc 0
19 mol 173 unq 0 iso 0 dist 5.97008 7.90789 8.51683 9.31172 14.253 9.00139 numMergedOcc 0
20 mol 173 unq 1 iso 0 dist 5.97008 4.13397 8.00155 9.31172 14.253 7.55884 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 9.45847 5.67457 12.5274 4.88303 13.3059 4.53585 numMergedOcc 0
22 mol 184 unq 1 iso 0 dist 7.895 5.67457 8.33714 4.88303 5.18787 4.53585 numMergedOcc 0
23 mol 198 unq 0 iso 0 dist 4.58291 9.44266 6.86808 8.28295 5.47473 7.34963 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 7.57712 6.57898 5.80442 8.75712 11.317 10.414 numMergedOcc 0
25 mol 220 unq 1 iso 0 dist 7.20255 6.57898 6.80972 8.75712 5.72178 10.414 numMergedOcc 0
26 mol 220 unq 2 iso 0 dist 7.57716 9.1318 5.68462 8.32948 4.45003 9.68332 numMergedOcc 0
27 mol 220 unq 3 iso 0 dist 8.98362 9.1318 10.8062 8.32948 14.9758 9.68332 numMergedOcc 0
28 mol 223 unq 0 iso 0 dist 6.03408 9.0935 12.0768 7.24878 4.89887 10.0932 numMergedOcc 0
29 mol 230 unq 0 iso 0 dist 6.88683 7.5725 5.71181 8.85051 5.50843 6.78617 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 8.34832 7.55125 15.3356 6.91534 15.1473 3.88767 numMergedOcc 0
31 mol 239 unq 1 iso 0 dist 8.34832 7.55125 15.3356 8.67704 16.5164 4.15092 numMergedOcc 0
32 mol 280 unq 0 iso 0 dist 7.02503 7.15389 8.27425 9.38952 11.9041 3.84243 numMergedOcc 0
33 mol 280 unq 1 iso 0 dist 8.57733 7.8766 3.77655 7.42529 11.1898 9.3284 numMergedOcc 0
34 mol 280 unq 2 iso 0 dist 8.57733 7.70759 9.99391 7.42529 11.1898 3.84243 numMergedOcc 0
35 mol 280 unq 3 iso 0 dist 9.05509 7.8766 8.87395 7.42529 11.0648 9.3284 numMergedOcc 0
36 mol 280 unq 4 iso 0 dist 9.05509 7.70759 8.05876 7.42529 11.0648 3.84243 numMergedOcc 0
37 mol 280 unq 5 iso 0 dist 6.83927 9.94082 8.23689 8.47055 4.6462 9.3579 numMergedOcc 0
38 mol 280 unq 6 iso 0 dist 6.83927 9.9882 5.63061 8.47055 4.6462 6.43667 numMergedOcc 0
39 mol 284 unq 0 iso 0 dist 9.47963 8.52276 4.91763 6.76508 4.2364 5.05858 numMergedOcc 0
40 mol 284 unq 1 iso 0 dist 9.47963 7.55623 4.127 6.76508 4.2364 5.72804 numMergedOcc 0
