0 mol 41 unq 0 iso 0 dist 7.89705 6.02913 7.56029 10.9615 9.76552 7.31718 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 7.89705 6.02913 7.56029 10.7309 12.6338 5.47447 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 9.16658 5.74753 7.4515 6.89855 8.45456 8.78414 numMergedOcc 0
3 mol 63 unq 1 iso 0 dist 8.94047 5.74753 9.76551 6.89855 3.4677 8.78414 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 6.07578 5.21981 8.04168 6.65972 5.47798 4.78333 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 6.07578 5.21981 8.04168 4.2253 7.86805 4.74254 numMergedOcc 0
6 mol 79 unq 2 iso 0 dist 6.07578 8.12985 5.70907 11.4214 5.48763 9.21761 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.84146 15.9454 9.6121 18.11 10.7475 4.55071 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 6.93136 12.1494 8.68663 9.99012 5.42311 6.60366 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 4.97005 10.2673 8.57801 10.6456 9.28201 8.92135 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 8.63008 5.39223 5.53324 7.56217 7.82899 4.45769 numMergedOcc 0
11 mol 194 unq 1 iso 0 dist 8.63008 5.39223 5.53324 9.81055 10.0237 5.89939 numMergedOcc 0
12 mol 207 unq 0 iso 0 dist 7.21449 11.9587 8.78061 11.092 5.62485 7.30153 numMergedOcc 0
13 mol 207 unq 1 iso 0 dist 9.22778 16.8541 8.78061 13.5721 5.62485 7.30153 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 9.04499 12.9462 7.97027 10.4132 9.06039 9.79673 numMergedOcc 0
15 mol 222 unq 1 iso 0 dist 9.04499 12.9462 7.97027 11.8897 3.98816 6.39673 numMergedOcc 0
16 mol 222 unq 2 iso 0 dist 9.04499 9.50604 4.9876 11.8897 3.98816 7.80676 numMergedOcc 0
17 mol 251 unq 0 iso 0 dist 5.0953 5.04918 6.42747 8.15014 10.3735 7.72528 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 8.54084 4.35925 9.65775 6.90472 4.05076 9.73217 numMergedOcc 0
19 mol 260 unq 1 iso 0 dist 8.54084 13.8859 9.50634 6.90472 4.05076 7.49606 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 9.98606 9.91008 8.20485 12.6543 5.48178 9.83672 numMergedOcc 0
21 mol 278 unq 0 iso 0 dist 8.04138 13.0506 7.59696 10.0222 5.78276 7.56691 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 8.84798 14.4305 5.8304 16.4631 7.93548 4.98693 numMergedOcc 0
