@MOLECULE n-(bromoacetyl)-beta-d-glucopyranosylamine 30 30 0 0 0 SMALL GASTEIGER @ATOM 1 BR -3.6574 -0.2192 0.7701 Br 1 UNL1111111111 -0.0344 2 O 1.4637 -1.0874 -0.0914 O.3 1 UNL1111111111 -0.4657 3 O 2.6777 2.5889 1.0606 O.3 1 UNL1111111111 -0.5653 4 O 4.6121 0.5350 0.4759 O.3 1 UNL1111111111 -0.5494 5 O 0.4875 2.3440 -0.8600 O.3 1 UNL1111111111 -0.5830 6 O 3.1935 -3.2753 -0.3615 O.3 1 UNL1111111111 -0.5330 7 O -1.5078 0.9358 -1.9931 O.2 1 UNL1111111111 -0.5436 8 N -0.6607 -0.5480 -0.5208 N.am 1 UNL1111111111 -0.6120 9 C 2.4684 1.5787 0.0961 C.3 1 UNL1111111111 0.0694 10 C 3.2241 0.3616 0.6592 C.3 1 UNL1111111111 0.0717 11 C 0.9583 1.3014 -0.0430 C.3 1 UNL1111111111 0.0321 12 C 2.8723 -0.8938 -0.1583 C.3 1 UNL1111111111 0.0531 13 C 0.7130 -0.0709 -0.7302 C.3 1 UNL1111111111 0.2597 14 C 3.4398 -2.1693 0.4781 C.3 1 UNL1111111111 -0.0153 15 C -1.6981 -0.0003 -1.2351 C.2 1 UNL1111111111 0.5970 16 C -3.0584 -0.6090 -1.0358 C.3 1 UNL1111111111 -0.3557 17 H 2.9017 1.9272 -0.8707 H 1 UNL1111111111 0.1565 18 H 3.0212 0.2332 1.7461 H 1 UNL1111111111 0.1510 19 H 0.4402 1.3728 0.9389 H 1 UNL1111111111 0.1571 20 H 3.1904 -0.8020 -1.2205 H 1 UNL1111111111 0.1563 21 H 0.9566 -0.0338 -1.8235 H 1 UNL1111111111 0.1566 22 H 3.0072 -2.3682 1.4745 H 1 UNL1111111111 0.1301 23 H 4.5464 -2.1203 0.5441 H 1 UNL1111111111 0.1687 24 H -0.7788 -1.2996 0.1477 H 1 UNL1111111111 0.3354 25 H 2.1485 3.3849 0.8313 H 1 UNL1111111111 0.3430 26 H 4.8856 1.4064 0.8460 H 1 UNL1111111111 0.3409 27 H -0.3055 2.0572 -1.3803 H 1 UNL1111111111 0.3671 28 H 2.2356 -3.3205 -0.5730 H 1 UNL1111111111 0.3192 29 H -3.0737 -1.7018 -1.1784 H 1 UNL1111111111 0.1864 30 H -3.7898 -0.1628 -1.7403 H 1 UNL1111111111 0.2059 @BOND 1 1 16 1 2 2 12 1 3 2 13 1 4 3 9 1 5 3 25 1 6 4 10 1 7 4 26 1 8 5 11 1 9 5 27 1 10 6 14 1 11 6 28 1 12 7 15 2 13 8 13 1 14 8 15 am 15 8 24 1 16 9 10 1 17 9 11 1 18 9 17 1 19 10 12 1 20 10 18 1 21 11 13 1 22 11 19 1 23 12 14 1 24 12 20 1 25 13 21 1 26 14 22 1 27 14 23 1 28 15 16 1 29 16 29 1 30 16 30 1