@MOLECULE 1,3,4,6-tetra-o-acetyl-2-[(bromoacetyl)amino]-2-deoxy-beta-d-galactopyranose 50 50 0 0 0 SMALL GASTEIGER @ATOM 1 BR -4.9142 0.4514 -0.3602 Br 1 UNL1111111111 -0.0584 2 O 0.6851 -2.0270 -0.2765 O.3 1 UNL1111111111 -0.4189 3 O 0.8666 2.0692 -0.1249 O.3 1 UNL1111111111 -0.4168 4 O 2.2897 -0.0337 0.7887 O.3 1 UNL1111111111 -0.3950 5 O -1.3876 -1.9575 0.5288 O.3 1 UNL1111111111 -0.4169 6 O 4.1115 -1.6897 -1.0936 O.3 1 UNL1111111111 -0.4403 7 O -2.1051 1.1400 2.0164 O.2 1 UNL1111111111 -0.4914 8 O 1.7064 2.9011 -2.0353 O.2 1 UNL1111111111 -0.5196 9 O 3.6278 1.7679 0.6071 O.2 1 UNL1111111111 -0.5636 10 O -2.1426 -3.4459 -0.9844 O.2 1 UNL1111111111 -0.4997 11 O 4.9812 -1.4492 0.9726 O.2 1 UNL1111111111 -0.5198 12 N -1.7239 0.7919 -0.1963 N.am 1 UNL1111111111 -0.5955 13 C 0.6795 0.8122 -0.7589 C.3 1 UNL1111111111 0.0461 14 C -0.4490 0.1299 0.0412 C.3 1 UNL1111111111 -0.0004 15 C 1.9831 0.0101 -0.5990 C.3 1 UNL1111111111 0.0176 16 C 1.7581 -1.4579 -1.0024 C.3 1 UNL1111111111 0.0667 17 C -0.5503 -1.3502 -0.4318 C.3 1 UNL1111111111 0.2933 18 C 2.9537 -2.3405 -0.5873 C.3 1 UNL1111111111 -0.0311 19 C -2.4865 1.2234 0.8711 C.2 1 UNL1111111111 0.5894 20 C 1.4861 3.0423 -0.8612 C.2 1 UNL1111111111 0.6481 21 C 3.1166 0.9180 1.2948 C.2 1 UNL1111111111 0.6571 22 C -2.1165 -3.0505 0.1493 C.2 1 UNL1111111111 0.6376 23 C -3.8306 1.8125 0.5093 C.3 1 UNL1111111111 -0.3534 24 C 1.7789 4.2046 0.0140 C.3 1 UNL1111111111 -0.5124 25 C 3.2843 0.6878 2.7526 C.3 1 UNL1111111111 -0.5117 26 C 5.0229 -1.2039 -0.2044 C.2 1 UNL1111111111 0.6442 27 C -2.8434 -3.5715 1.3372 C.3 1 UNL1111111111 -0.5110 28 C 6.0080 -0.3573 -0.9277 C.3 1 UNL1111111111 -0.5178 29 H 0.4171 0.9592 -1.8311 H 1 UNL1111111111 0.1579 30 H -0.1975 0.1507 1.1455 H 1 UNL1111111111 0.2240 31 H 2.8167 0.4760 -1.1767 H 1 UNL1111111111 0.1789 32 H 1.5493 -1.5341 -2.0937 H 1 UNL1111111111 0.1423 33 H -0.9285 -1.4893 -1.4651 H 1 UNL1111111111 0.1400 34 H 2.9876 -2.4801 0.5124 H 1 UNL1111111111 0.1779 35 H 2.9379 -3.3256 -1.0855 H 1 UNL1111111111 0.1503 36 H -2.0333 0.8782 -1.1498 H 1 UNL1111111111 0.3159 37 H -4.3658 2.1362 1.4221 H 1 UNL1111111111 0.1959 38 H -3.7521 2.6777 -0.1668 H 1 UNL1111111111 0.1814 39 H 2.7770 4.0720 0.4797 H 1 UNL1111111111 0.2080 40 H 1.8025 5.1417 -0.5609 H 1 UNL1111111111 0.1822 41 H 1.0541 4.3121 0.8356 H 1 UNL1111111111 0.1864 42 H 3.9897 -0.1507 2.9230 H 1 UNL1111111111 0.2078 43 H 3.6897 1.5782 3.2543 H 1 UNL1111111111 0.1833 44 H 2.3372 0.4082 3.2429 H 1 UNL1111111111 0.1931 45 H -2.2991 -4.4220 1.7805 H 1 UNL1111111111 0.1900 46 H -3.8485 -3.9252 1.0589 H 1 UNL1111111111 0.1866 47 H -2.9542 -2.8103 2.1292 H 1 UNL1111111111 0.1948 48 H 5.7528 0.7125 -0.7909 H 1 UNL1111111111 0.2037 49 H 7.0240 -0.5029 -0.5304 H 1 UNL1111111111 0.1859 50 H 6.0282 -0.5500 -2.0114 H 1 UNL1111111111 0.1876 @BOND 1 1 23 1 2 2 16 1 3 2 17 1 4 3 13 1 5 3 20 1 6 4 15 1 7 4 21 1 8 5 17 1 9 5 22 1 10 6 18 1 11 6 26 1 12 7 19 2 13 8 20 2 14 9 21 2 15 10 22 2 16 11 26 2 17 12 14 1 18 12 19 am 19 12 36 1 20 13 14 1 21 13 15 1 22 13 29 1 23 14 17 1 24 14 30 1 25 15 16 1 26 15 31 1 27 16 18 1 28 16 32 1 29 17 33 1 30 18 34 1 31 18 35 1 32 19 23 1 33 20 24 1 34 21 25 1 35 22 27 1 36 23 37 1 37 23 38 1 38 24 39 1 39 24 40 1 40 24 41 1 41 25 42 1 42 25 43 1 43 25 44 1 44 26 28 1 45 27 45 1 46 27 46 1 47 27 47 1 48 28 48 1 49 28 49 1 50 28 50 1