@MOLECULE 2-[(bromoacetyl)amino]-2-deoxy-d-galactose 30 29 0 0 0 SMALL GASTEIGER @ATOM 1 BR 2.7745 1.2334 0.4739 Br 1 UNL11111 -0.0416 2 O -1.0763 -0.9714 1.7812 O.3 1 UNL11111 -0.5770 3 O -1.7001 0.1321 -1.6105 O.3 1 UNL11111 -0.5708 4 O -3.7793 0.4392 0.3289 O.3 1 UNL11111 -0.5616 5 O -3.6180 3.3186 0.1178 O.3 1 UNL11111 -0.5410 6 O -1.4475 -4.0945 0.3214 O.2 1 UNL11111 -0.4103 7 O 1.0840 -0.7726 -2.1209 O.2 1 UNL11111 -0.5379 8 N 0.9892 -1.5222 0.0138 N.am 1 UNL11111 -0.5773 9 C -1.4397 -1.1119 0.4216 C.3 1 UNL11111 0.0889 10 C -1.4262 0.2871 -0.2358 C.3 1 UNL11111 0.0413 11 CA -0.3623 -2.0470 -0.1766 C.3 1 UNL11111 -0.0757 12 C -2.5697 1.1612 0.3113 C.3 1 UNL11111 0.0756 13 C -2.7443 2.4278 -0.5404 C.3 1 UNL11111 -0.0388 14 C -0.4815 -3.4069 0.5200 C.2 1 UNL11111 0.3407 15 C 1.6006 -0.8463 -1.0223 C.2 1 UNL11111 0.5858 16 C 2.9634 -0.2744 -0.7369 C.3 1 UNL11111 -0.3599 17 H -2.4468 -1.5865 0.3397 H 1 UNL11111 0.1651 18 H -0.4465 0.7910 -0.0932 H 1 UNL11111 0.1393 19 HA -0.5720 -2.1877 -1.2791 H 1 UNL11111 0.2061 20 H -2.4155 1.4134 1.3864 H 1 UNL11111 0.1569 21 H -3.1430 2.1964 -1.5458 H 1 UNL11111 0.1412 22 H -1.8076 3.0049 -0.6424 H 1 UNL11111 0.1492 23 H 1.2936 -1.4190 0.9751 H 1 UNL11111 0.3294 24 H 0.3299 -3.7139 1.1859 H 1 UNL11111 0.1253 25 H -1.8459 -0.6611 2.3063 H 1 UNL11111 0.3416 26 H -0.8877 -0.1708 -2.0889 H 1 UNL11111 0.3550 27 H -3.9892 0.1008 -0.5716 H 1 UNL11111 0.3360 28 H -4.4436 2.8490 0.3697 H 1 UNL11111 0.3238 29 H 3.4309 0.0968 -1.6709 H 1 UNL11111 0.2034 30 H 3.6524 -1.0029 -0.2796 H 1 UNL11111 0.1874 @BOND 1 1 16 1 2 2 9 1 3 2 25 1 4 3 10 1 5 3 26 1 6 4 12 1 7 4 27 1 8 5 13 1 9 5 28 1 10 6 14 2 11 7 15 2 12 8 11 1 13 8 15 am 14 8 23 1 15 9 10 1 16 9 11 1 17 9 17 1 18 10 12 1 19 10 18 1 20 11 14 1 21 11 19 1 22 12 13 1 23 12 20 1 24 13 21 1 25 13 22 1 26 14 24 1 27 15 16 1 28 16 29 1 29 16 30 1