@MOLECULE 2-acetamido-n-acetyl-2-deoxy-beta-d-glucopyranosylamine 36 36 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3477 -1.0537 -0.3580 O.3 1 UNL1111111111 -0.4461 2 O -0.5272 2.9037 -0.2438 O.3 1 UNL1111111111 -0.5184 3 O -3.1937 1.9679 0.4932 O.3 1 UNL1111111111 -0.5359 4 O -3.8648 -2.2051 -0.0281 O.3 1 UNL1111111111 -0.5356 5 O 2.6655 1.3880 -1.4614 O.2 1 UNL1111111111 -0.5353 6 O 2.1091 -1.8265 1.3840 O.2 1 UNL1111111111 -0.5587 7 N 1.5714 1.0330 0.4927 N.am 1 UNL1111111111 -0.6070 8 N 0.7986 -1.7215 -0.4452 N.am 1 UNL1111111111 -0.6201 9 C 0.3101 0.7112 -0.1524 C.3 1 UNL1111111111 -0.0049 10 C -0.8061 1.6583 0.3569 C.3 1 UNL1111111111 0.0588 11 C -2.1978 1.1758 -0.1030 C.3 1 UNL1111111111 0.0326 12 C -0.0782 -0.7650 0.2087 C.3 1 UNL1111111111 0.2652 13 C -2.4045 -0.3106 0.2287 C.3 1 UNL1111111111 0.0159 14 C -3.6566 -0.8786 -0.4572 C.3 1 UNL1111111111 -0.0121 15 C 2.6942 1.3685 -0.2498 C.2 1 UNL1111111111 0.6267 16 C 1.9158 -2.1816 0.2374 C.2 1 UNL1111111111 0.6320 17 C 3.9073 1.7117 0.5693 C.3 1 UNL1111111111 -0.5293 18 C 2.8227 -3.1047 -0.5169 C.3 1 UNL1111111111 -0.5254 19 H 0.4091 0.8315 -1.2687 H 1 UNL1111111111 0.2056 20 H -0.7613 1.7968 1.4590 H 1 UNL1111111111 0.1271 21 H -2.3426 1.3816 -1.1910 H 1 UNL1111111111 0.1771 22 H -0.0998 -0.9378 1.3159 H 1 UNL1111111111 0.1541 23 H -2.4301 -0.5019 1.3240 H 1 UNL1111111111 0.1404 24 H 1.6320 0.8807 1.4873 H 1 UNL1111111111 0.3169 25 H -3.5675 -0.8623 -1.5585 H 1 UNL1111111111 0.1346 26 H -4.5714 -0.3411 -0.1423 H 1 UNL1111111111 0.1577 27 H 0.6067 -1.9433 -1.4086 H 1 UNL1111111111 0.3277 28 H -1.3284 3.4738 -0.2073 H 1 UNL1111111111 0.3231 29 H -3.2152 1.8523 1.4664 H 1 UNL1111111111 0.3162 30 H -3.0507 -2.7319 -0.1929 H 1 UNL1111111111 0.3259 31 H 4.7753 1.8690 -0.0898 H 1 UNL1111111111 0.1861 32 H 3.7591 2.6395 1.1395 H 1 UNL1111111111 0.1781 33 H 4.1682 0.9128 1.2759 H 1 UNL1111111111 0.1763 34 H 3.8027 -3.1749 -0.0122 H 1 UNL1111111111 0.1902 35 H 2.4114 -4.1239 -0.5615 H 1 UNL1111111111 0.1818 36 H 3.0094 -2.7655 -1.5460 H 1 UNL1111111111 0.1787 @BOND 1 1 12 1 2 1 13 1 3 2 10 1 4 2 28 1 5 3 11 1 6 3 29 1 7 4 14 1 8 4 30 1 9 5 15 2 10 6 16 2 11 7 9 1 12 7 15 am 13 7 24 1 14 8 12 1 15 8 16 am 16 8 27 1 17 9 10 1 18 9 12 1 19 9 19 1 20 10 11 1 21 10 20 1 22 11 13 1 23 11 21 1 24 12 22 1 25 13 14 1 26 13 23 1 27 14 25 1 28 14 26 1 29 15 17 1 30 16 18 1 31 17 31 1 32 17 32 1 33 17 33 1 34 18 34 1 35 18 35 1 36 18 36 1