@MOLECULE 3-deoxy-d-glycero-d-galacto-2-nonulosonic acid 34 33 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5908 1.7897 1.8494 O.3 1 UNL1111111111 -0.5563 2 O -0.5979 2.5688 -0.8447 O.3 1 UNL1111111111 -0.5599 3 O -2.8349 0.2097 1.5868 O.3 1 UNL1111111111 -0.5717 4 O 2.1684 2.3990 -1.1748 O.3 1 UNL1111111111 -0.5637 5 O -3.7742 -0.3787 -1.0024 O.3 1 UNL1111111111 -0.5507 6 O -2.1737 -2.7243 -1.2152 O.3 1 UNL1111111111 -0.5423 7 O 2.5378 -0.4356 -1.4620 O.2 1 UNL1111111111 -0.3699 8 O 3.3965 -2.4446 0.5353 O.3 1 UNL1111111111 -0.5167 9 O 1.2185 -2.1431 0.9915 O.2 1 UNL1111111111 -0.4634 10 C -0.6708 0.8825 0.7721 C.3 1 UNL1111111111 0.0606 11 C 0.1236 1.4272 -0.4259 C.3 1 UNL1111111111 0.0311 12 C -2.1601 0.6762 0.4325 C.3 1 UNL1111111111 0.0488 13 C 1.5487 1.8813 -0.0255 C.3 1 UNL1111111111 0.1371 14 C -2.4130 -0.4059 -0.6323 C.3 1 UNL1111111111 0.0779 15 C 2.3903 0.7614 0.6019 C.3 1 UNL1111111111 -0.4471 16 C -2.0730 -1.8197 -0.1362 C.3 1 UNL1111111111 -0.0483 17 C 2.4257 -0.4520 -0.2675 C.2 1 UNL1111111111 0.4181 18 C 2.2369 -1.7685 0.4797 C.2 1 UNL1111111111 0.5348 19 H -0.2189 -0.0482 1.1930 H 1 UNL1111111111 0.1703 20 H 0.1485 0.7046 -1.2728 H 1 UNL1111111111 0.1467 21 H -2.6415 1.6373 0.1295 H 1 UNL1111111111 0.1593 22 H 1.5009 2.7688 0.6530 H 1 UNL1111111111 0.1668 23 H -1.8970 -0.1712 -1.5923 H 1 UNL1111111111 0.1593 24 H 3.4331 1.1358 0.7488 H 1 UNL1111111111 0.2043 25 H 2.0182 0.5467 1.6288 H 1 UNL1111111111 0.1991 26 H -2.7496 -2.1443 0.6752 H 1 UNL1111111111 0.1389 27 H -1.0260 -1.9272 0.1993 H 1 UNL1111111111 0.1538 28 H -0.8735 2.6873 1.5552 H 1 UNL1111111111 0.3361 29 H -0.0453 3.1062 -1.4609 H 1 UNL1111111111 0.3451 30 H -2.4914 0.6664 2.3870 H 1 UNL1111111111 0.3407 31 H 2.4294 1.6785 -1.7951 H 1 UNL1111111111 0.3428 32 H -4.3447 -0.4189 -0.2020 H 1 UNL1111111111 0.3313 33 H -3.0296 -2.5881 -1.6792 H 1 UNL1111111111 0.3240 34 H 3.3282 -3.3233 0.9989 H 1 UNL1111111111 0.3632 @BOND 1 1 10 1 2 1 28 1 3 2 11 1 4 2 29 1 5 3 12 1 6 3 30 1 7 4 13 1 8 4 31 1 9 5 14 1 10 5 32 1 11 6 16 1 12 6 33 1 13 7 17 2 14 8 18 1 15 8 34 1 16 9 18 2 17 10 11 1 18 10 12 1 19 10 19 1 20 11 13 1 21 11 20 1 22 12 14 1 23 12 21 1 24 13 15 1 25 13 22 1 26 14 16 1 27 14 23 1 28 15 17 1 29 15 24 1 30 15 25 1 31 16 26 1 32 16 27 1 33 17 18 1