0 mol 5 unq 0 iso 0 dist 5.63583 6.86774 6.96805 6.89121 9.75695 13.0853 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 8.73998 16.3437 9.59644 9.44846 8.13238 14.4137 numMergedOcc 0
2 mol 86 unq 0 iso 0 dist 9.59708 4.4104 8.32885 8.74732 8.45348 4.44978 numMergedOcc 0
3 mol 86 unq 1 iso 0 dist 9.59708 4.4104 8.32885 12.3359 8.43052 8.34552 numMergedOcc 0
4 mol 86 unq 2 iso 0 dist 9.59708 9.78656 9.14653 8.74732 8.45348 7.95883 numMergedOcc 0
5 mol 86 unq 3 iso 0 dist 9.59708 9.78656 9.14653 12.3359 8.43052 6.61451 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 8.70106 10.6064 7.52954 13.5246 7.2533 7.90311 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 5.68879 4.85533 9.34752 10.0595 7.94271 14.7053 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 5.68879 4.85533 9.34752 12.3404 9.89093 16.1019 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 5.68879 8.93999 8.41858 10.0595 7.94271 3.76469 numMergedOcc 0
10 mol 119 unq 3 iso 0 dist 5.68879 8.93999 8.41858 12.3404 9.89093 8.93307 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 8.95717 9.30741 9.09918 5.7687 7.56704 10.3282 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 9.89671 12.4418 7.67877 5.08182 8.79837 10.8724 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 4.46578 6.53566 5.9962 7.587 9.31413 7.55155 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 4.46578 4.77272 8.61448 7.587 9.31413 10.3667 numMergedOcc 0
15 mol 174 unq 0 iso 0 dist 9.14165 6.80369 4.77805 4.47486 7.22982 6.26669 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.98221 10.7102 5.83898 12.3522 6.20806 9.95786 numMergedOcc 0
17 mol 250 unq 0 iso 0 dist 9.73318 12.8213 5.43868 8.78646 9.83369 11.1655 numMergedOcc 0
18 mol 250 unq 1 iso 0 dist 5.75551 12.8213 9.80833 5.87668 9.31494 15.3004 numMergedOcc 0
19 mol 254 unq 0 iso 0 dist 9.26382 16.1098 8.76115 14.7391 9.47137 15.9221 numMergedOcc 0
20 mol 254 unq 1 iso 0 dist 9.73281 18.0832 8.76115 12.6476 9.47137 15.9221 numMergedOcc 0
