0 mol 6 unq 0 iso 0 dist 9.50612 7.32905 4.76488 11.823 9.07564 8.62458 numMergedOcc 0
1 mol 6 unq 1 iso 0 dist 6.46784 6.13512 4.76488 3.9416 9.07564 8.62458 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 5.78231 6.00133 5.9972 9.26879 8.78511 5.19476 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 9.41538 5.43575 5.9972 7.64485 8.78511 5.19476 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 6.35997 9.4837 9.56614 9.9219 6.52283 10.4688 numMergedOcc 0
5 mol 37 unq 0 iso 0 dist 6.32052 10.3755 8.61124 8.79311 9.59073 3.88248 numMergedOcc 0
6 mol 37 unq 1 iso 0 dist 6.32052 6.11898 5.1625 8.79311 9.59073 6.78844 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 8.63792 12.9327 8.90522 9.51274 9.57759 5.19248 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 6.29267 9.878 7.90338 5.22146 7.92114 6.25647 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 6.29267 9.878 7.90338 9.79892 8.18375 5.72646 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 6.56288 12.0467 5.61151 8.175 4.29937 7.2898 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 6.56288 12.0467 5.61151 9.3414 3.65628 4.13305 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 6.56288 12.0467 5.61151 14.8394 9.77774 6.42723 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 5.97559 12.0467 6.54289 8.175 5.37869 7.2898 numMergedOcc 0
14 mol 85 unq 4 iso 0 dist 5.97559 12.0467 6.54289 9.3414 4.05415 4.13305 numMergedOcc 0
15 mol 85 unq 5 iso 0 dist 5.97559 12.0467 6.54289 14.8394 9.97944 6.42723 numMergedOcc 0
16 mol 85 unq 6 iso 0 dist 5.97559 11.8012 7.52869 8.175 5.37869 8.37735 numMergedOcc 0
17 mol 85 unq 7 iso 0 dist 5.97559 11.8012 7.52869 9.3414 4.05415 6.66973 numMergedOcc 0
18 mol 85 unq 8 iso 0 dist 5.97559 11.8012 7.52869 14.8394 9.97944 13.5088 numMergedOcc 0
19 mol 85 unq 9 iso 0 dist 5.97559 12.0763 9.18945 8.175 5.37869 6.17924 numMergedOcc 0
20 mol 85 unq 10 iso 0 dist 5.97559 12.0763 9.18945 9.3414 4.05415 7.15173 numMergedOcc 0
21 mol 85 unq 11 iso 0 dist 5.97559 12.0763 9.18945 14.8394 9.97944 16.574 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.78251 11.0552 6.24036 12.6481 9.34653 11.1693 numMergedOcc 0
23 mol 193 unq 0 iso 0 dist 7.73964 9.03624 6.21648 4.0847 6.94187 5.4245 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 7.15344 4.22625 7.76863 10.7662 8.23717 9.11693 numMergedOcc 0
25 mol 204 unq 1 iso 0 dist 8.09863 11.0196 8.41517 7.17392 6.39122 4.08137 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 5.28746 8.1524 9.6721 11.5675 8.20376 17.5987 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 9.15937 6.33111 3.93401 6.49965 9.21469 6.87619 numMergedOcc 0
