@MOLECULE (1s)-1,5-anhydro-4-o-alpha-d-galactopyranosyl-1-sulfamoyl-d-galactitol 49 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7318 -2.6923 0.3494 O.3 1 UNL1111111111 -0.5504 2 C -1.8851 -1.8982 0.3118 C.3 1 UNL1111111111 0.0435 3 C -2.2484 -1.5395 -1.1363 C.3 1 UNL1111111111 0.0464 4 O -2.6496 -2.6985 -1.8399 O.3 1 UNL1111111111 -0.5639 5 C -3.4916 -0.6237 -1.1411 C.3 1 UNL1111111111 0.0769 6 O -4.5998 -1.2958 -0.5823 O.3 1 UNL1111111111 -0.5440 7 C -3.2413 0.6068 -0.2561 C.3 1 UNL1111111111 0.0314 8 C -4.5314 1.3848 0.0362 C.3 1 UNL1111111111 -0.0047 9 O -4.3124 2.7742 -0.0848 O.3 1 UNL1111111111 -0.5560 10 O -2.7890 0.2465 1.0484 O.3 1 UNL1111111111 -0.4255 11 C -1.6867 -0.5940 1.1172 C.3 1 UNL1111111111 0.2610 12 O -0.5522 -0.0075 0.5068 O.3 1 UNL1111111111 -0.4483 13 C -0.0023 1.1092 1.1703 C.3 1 UNL1111111111 0.0479 14 C 0.4832 2.0716 0.0623 C.3 1 UNL1111111111 0.1061 15 O -0.6565 2.4929 -0.6466 O.3 1 UNL1111111111 -0.5542 16 C 1.4565 1.3141 -0.8655 C.3 1 UNL1111111111 0.0811 17 O 1.9623 2.2964 -1.7355 O.3 1 UNL1111111111 -0.5918 18 C 2.6040 0.7301 -0.0120 C.3 1 UNL1111111111 -0.2481 19 S 3.5821 -0.4265 -1.0131 S.O2 1 UNL1111111111 2.3168 20 O 2.9085 -1.6837 -1.1653 O.2 1 UNL1111111111 -0.8672 21 O 3.9397 0.3913 -2.1570 O.2 1 UNL1111111111 -0.9416 22 N 5.0238 -0.7087 -0.1068 N.3 1 UNL1111111111 -0.9249 23 O 2.1199 -0.0550 1.0484 O.3 1 UNL1111111111 -0.3773 24 C 1.2510 0.6398 1.9404 C.3 1 UNL1111111111 0.0088 25 C 0.9674 -0.4253 3.0085 C.3 1 UNL1111111111 -0.0216 26 O 2.0965 -0.5564 3.8433 O.3 1 UNL1111111111 -0.5370 27 H 0.0751 -2.1702 0.1190 H 1 UNL1111111111 0.3477 28 H -2.6656 -2.5407 0.7841 H 1 UNL1111111111 0.1797 29 H -1.3920 -1.0859 -1.6786 H 1 UNL1111111111 0.1457 30 H -2.0144 -3.4290 -1.6546 H 1 UNL1111111111 0.3421 31 H -3.7612 -0.3280 -2.1807 H 1 UNL1111111111 0.1455 32 H -4.6680 -2.1946 -0.9836 H 1 UNL1111111111 0.3370 33 H -2.4617 1.2614 -0.7182 H 1 UNL1111111111 0.1719 34 H -5.3323 1.1817 -0.7004 H 1 UNL1111111111 0.1607 35 H -4.9098 1.1700 1.0553 H 1 UNL1111111111 0.1453 36 H -3.4729 3.0299 0.3485 H 1 UNL1111111111 0.3211 37 H -1.5491 -0.7460 2.2064 H 1 UNL1111111111 0.1374 38 H -0.7529 1.6026 1.8218 H 1 UNL1111111111 0.1536 39 H 0.9595 2.9807 0.4945 H 1 UNL1111111111 0.1370 40 H -0.3785 2.9216 -1.4916 H 1 UNL1111111111 0.3436 41 H 0.9057 0.5447 -1.4567 H 1 UNL1111111111 0.1599 42 H 2.6550 1.9210 -2.3445 H 1 UNL1111111111 0.3741 43 H 3.2455 1.5510 0.3851 H 1 UNL1111111111 0.1681 44 H 5.1753 -1.6517 0.2205 H 1 UNL1111111111 0.3006 45 H 5.8768 -0.3303 -0.4885 H 1 UNL1111111111 0.2988 46 H 1.7966 1.5029 2.3860 H 1 UNL1111111111 0.1431 47 H 0.1672 -0.1150 3.7058 H 1 UNL1111111111 0.1478 48 H 0.7266 -1.4080 2.5564 H 1 UNL1111111111 0.1504 49 H 2.8754 -0.8245 3.3072 H 1 UNL1111111111 0.3252 @BOND 1 1 2 1 2 1 27 1 3 2 3 1 4 2 11 1 5 2 28 1 6 3 4 1 7 3 5 1 8 3 29 1 9 4 30 1 10 5 6 1 11 5 7 1 12 5 31 1 13 6 32 1 14 7 8 1 15 7 10 1 16 7 33 1 17 8 9 1 18 8 34 1 19 8 35 1 20 9 36 1 21 10 11 1 22 11 12 1 23 11 37 1 24 12 13 1 25 13 14 1 26 13 24 1 27 13 38 1 28 14 15 1 29 14 16 1 30 14 39 1 31 15 40 1 32 16 17 1 33 16 18 1 34 16 41 1 35 17 42 1 36 18 19 1 37 18 23 1 38 18 43 1 39 19 20 2 40 19 21 2 41 19 22 1 42 22 44 1 43 22 45 1 44 23 24 1 45 24 25 1 46 24 46 1 47 25 26 1 48 25 47 1 49 25 48 1 50 26 49 1