0 mol 85 unq 0 iso 0 dist 9.24862 8.97392 9.37034 10.6271 6.24296 7.74857 numMergedOcc 0
1 mol 85 unq 1 iso 0 dist 9.24862 8.97392 9.37034 13.7977 6.83218 10.4876 numMergedOcc 0
2 mol 85 unq 2 iso 0 dist 9.24862 13.2626 6.60091 10.6271 6.24296 9.36582 numMergedOcc 0
3 mol 85 unq 3 iso 0 dist 9.24862 13.2626 6.60091 13.7977 6.83218 8.8983 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 6.50917 10.2676 8.29601 5.12918 8.72835 8.28572 numMergedOcc 0
5 mol 91 unq 1 iso 0 dist 6.77052 8.92868 8.29601 12.0662 8.72835 8.28572 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 7.3098 11.0301 8.96628 9.06539 8.29463 6.55074 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 9.90038 15.767 8.96628 14.1132 8.29463 6.55074 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 7.59407 12.3741 5.62903 6.00039 5.80831 8.8974 numMergedOcc 0
9 mol 157 unq 0 iso 0 dist 7.78927 7.20013 6.97303 5.61367 8.51753 7.68025 numMergedOcc 0
10 mol 157 unq 1 iso 0 dist 7.78927 4.74886 9.46764 5.61367 8.51753 5.43167 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 6.8557 8.33682 9.83024 7.12863 9.04035 15.1579 numMergedOcc 0
12 mol 204 unq 1 iso 0 dist 6.13127 12.9836 9.83024 6.03168 9.04035 15.1579 numMergedOcc 0
13 mol 283 unq 0 iso 0 dist 9.24924 7.04495 8.57375 7.95433 8.106 5.55396 numMergedOcc 0
14 mol 283 unq 1 iso 0 dist 9.72248 9.44903 8.57375 7.04425 8.106 5.55396 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 7.80478 12.2037 4.75392 5.96447 9.98518 14.5058 numMergedOcc 0
16 mol 287 unq 1 iso 0 dist 7.80478 15.1358 8.61667 5.96447 9.98518 16.8571 numMergedOcc 0
17 mol 287 unq 2 iso 0 dist 9.22409 6.95862 4.75392 16.1319 9.98518 14.5058 numMergedOcc 0
18 mol 287 unq 3 iso 0 dist 9.22409 6.1041 8.61667 16.1319 9.98518 16.8571 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.80478 12.2037 4.75392 5.96447 9.98518 14.5058 numMergedOcc 0
20 mol 288 unq 1 iso 0 dist 7.80478 15.1358 8.61667 5.96447 9.98518 16.8571 numMergedOcc 0
21 mol 288 unq 2 iso 0 dist 9.22409 6.95862 4.75392 16.1319 9.98518 14.5058 numMergedOcc 0
22 mol 288 unq 3 iso 0 dist 9.22409 6.1041 8.61667 16.1319 9.98518 16.8571 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 7.80478 12.2037 4.75392 5.96447 9.98518 14.5058 numMergedOcc 0
24 mol 289 unq 1 iso 0 dist 7.80478 15.1358 8.61667 5.96447 9.98518 16.8571 numMergedOcc 0
25 mol 289 unq 2 iso 0 dist 9.22409 6.95862 4.75392 16.1319 9.98518 14.5058 numMergedOcc 0
26 mol 289 unq 3 iso 0 dist 9.22409 6.1041 8.61667 16.1319 9.98518 16.8571 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 7.78353 11.6255 6.51561 15.0419 9.18386 5.90311 numMergedOcc 0
