@MOLECULE (1s)-1,5-anhydro-1-sulfamoyl-d-galactitol 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3137 2.5345 -0.9742 O.3 1 UNL1111111111 -0.5473 2 C 0.2287 1.5237 -0.1514 C.3 1 UNL1111111111 0.0680 3 C 1.7472 1.4304 -0.4447 C.3 1 UNL1111111111 0.0436 4 O 2.3816 2.4878 0.2276 O.3 1 UNL1111111111 -0.5472 5 C 2.3387 0.0785 0.0038 C.3 1 UNL1111111111 0.0382 6 O 2.3173 0.0293 1.4117 O.3 1 UNL1111111111 -0.5423 7 C 1.4951 -1.0558 -0.5913 C.3 1 UNL1111111111 0.0024 8 C 1.8758 -2.4408 -0.0412 C.3 1 UNL1111111111 -0.0131 9 O 1.0285 -3.4149 -0.6073 O.3 1 UNL1111111111 -0.5380 10 O 0.1672 -0.8947 -0.1025 O.3 1 UNL1111111111 -0.3984 11 C -0.5052 0.2432 -0.5878 C.3 1 UNL1111111111 -0.2132 12 S -2.1564 0.0540 0.1886 S.O2 1 UNL1111111111 2.3187 13 O -2.0545 0.5854 1.5237 O.2 1 UNL1111111111 -0.9032 14 O -3.1554 0.4622 -0.7593 O.2 1 UNL1111111111 -0.8716 15 N -2.3503 -1.6608 0.3541 N.3 1 UNL1111111111 -0.9384 16 H 0.1085 3.3987 -0.7637 H 1 UNL1111111111 0.3401 17 H 0.0524 1.7903 0.9183 H 1 UNL1111111111 0.1612 18 H 1.9551 1.6427 -1.5187 H 1 UNL1111111111 0.1616 19 H 2.5921 2.2277 1.1569 H 1 UNL1111111111 0.3396 20 H 3.4201 -0.0010 -0.2398 H 1 UNL1111111111 0.1610 21 H 1.3946 -0.1301 1.7283 H 1 UNL1111111111 0.3368 22 H 1.4943 -1.0497 -1.7015 H 1 UNL1111111111 0.1482 23 H 2.8905 -2.7453 -0.3536 H 1 UNL1111111111 0.1466 24 H 1.7971 -2.4842 1.0614 H 1 UNL1111111111 0.1399 25 H 0.0879 -3.1538 -0.4590 H 1 UNL1111111111 0.3355 26 H -0.5944 0.2102 -1.6987 H 1 UNL1111111111 0.1754 27 H -3.1076 -2.0845 -0.1576 H 1 UNL1111111111 0.2988 28 H -2.2885 -2.0365 1.2856 H 1 UNL1111111111 0.2971 @BOND 1 1 2 1 2 1 16 1 3 2 3 1 4 2 11 1 5 2 17 1 6 3 4 1 7 3 5 1 8 3 18 1 9 4 19 1 10 5 6 1 11 5 7 1 12 5 20 1 13 6 21 1 14 7 8 1 15 7 10 1 16 7 22 1 17 8 9 1 18 8 23 1 19 8 24 1 20 9 25 1 21 10 11 1 22 11 12 1 23 11 26 1 24 12 13 2 25 12 14 2 26 12 15 1 27 15 27 1 28 15 28 1