@MOLECULE levoglucosan 21 22 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0031 -0.3695 1.1784 O.3 1 UNL1111111111 -0.4016 2 O 2.0407 0.3154 -0.7081 O.3 1 UNL1111111111 -0.4181 3 O -1.6156 -2.0363 0.5007 O.3 1 UNL1111111111 -0.5493 4 O -2.1815 0.6569 -0.9293 O.3 1 UNL1111111111 -0.5662 5 O -0.3408 2.4766 0.5795 O.3 1 UNL1111111111 -0.5457 6 C 0.6955 -1.3796 0.2162 C.3 1 UNL1111111111 0.0114 7 C -0.7696 -1.1712 -0.2145 C.3 1 UNL1111111111 0.0509 8 C -1.2094 0.2925 0.0301 C.3 1 UNL1111111111 0.0574 9 C -0.0754 1.3181 -0.1781 C.3 1 UNL1111111111 0.0452 10 C 1.2627 0.7794 0.3870 C.3 1 UNL1111111111 0.2898 11 C 1.6881 -1.0557 -0.9246 C.3 1 UNL1111111111 -0.0773 12 H 0.8636 -2.3446 0.7243 H 1 UNL1111111111 0.1686 13 H -0.9531 -1.4784 -1.2702 H 1 UNL1111111111 0.1665 14 H -1.6522 0.4067 1.0469 H 1 UNL1111111111 0.1495 15 H 0.0228 1.5989 -1.2524 H 1 UNL1111111111 0.1619 16 H 1.8596 1.4900 0.9800 H 1 UNL1111111111 0.1762 17 H 2.6291 -1.6233 -0.8569 H 1 UNL1111111111 0.1485 18 H 1.2685 -1.1260 -1.9377 H 1 UNL1111111111 0.1421 19 H -1.5160 -1.9169 1.4697 H 1 UNL1111111111 0.3252 20 H -2.9462 0.0439 -0.8920 H 1 UNL1111111111 0.3320 21 H -1.1801 2.8883 0.2759 H 1 UNL1111111111 0.3330 @BOND 1 1 6 1 2 1 10 1 3 2 10 1 4 2 11 1 5 3 7 1 6 3 19 1 7 4 8 1 8 4 20 1 9 5 9 1 10 5 21 1 11 6 7 1 12 6 11 1 13 6 12 1 14 7 8 1 15 7 13 1 16 8 9 1 17 8 14 1 18 9 10 1 19 9 15 1 20 10 16 1 21 11 17 1 22 11 18 1