@MOLECULE 2-acetamido-1,5-anhydro-2-deoxy-d-mannitol 29 29 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.9964 -1.2196 -0.5181 O.3 1 UNL1111111111 -0.1398 2 O -0.7671 2.4204 0.1767 O.3 1 UNL1111111111 -0.3866 3 O 2.1074 2.0577 0.4479 O.3 1 UNL1111111111 -0.4545 4 O 3.7021 -1.7506 0.1687 O.3 1 UNL1111111111 -0.3494 5 O -3.6123 -0.2294 -0.6590 O.2 1 UNL1111111111 -0.3944 6 N -1.5636 -0.3193 0.2998 N.am 1 UNL1111111111 -0.5700 7 C -0.0278 1.4354 -0.4982 C.3 1 UNL1111111111 -0.4636 8 C -0.8992 0.2166 -0.8923 C.3 1 UNL1111111111 -0.1326 9 C 1.1536 1.0176 0.4038 C.3 1 UNL1111111111 -0.2981 10 C 1.9123 -0.1762 -0.2090 C.3 1 UNL1111111111 0.3355 11 C 0.0359 -0.8568 -1.4893 C.3 1 UNL1111111111 -0.5162 12 C 2.8647 -0.8155 0.8098 C.3 1 UNL1111111111 -0.5677 13 C -2.9292 -0.5975 0.2705 C.2 1 UNL1111111111 0.5497 14 C -3.4678 -1.3032 1.4808 C.3 1 UNL1111111111 -0.9272 15 H 0.3391 1.9742 -1.4043 H 1 UNL1111111111 0.3444 16 H -1.6728 0.5388 -1.6433 H 1 UNL1111111111 0.2730 17 H 0.8162 0.8178 1.4426 H 1 UNL1111111111 0.2102 18 H 2.4606 0.1253 -1.1297 H 1 UNL1111111111 0.1251 19 H -0.4914 -1.8100 -1.6811 H 1 UNL1111111111 0.2715 20 H 0.5222 -0.5172 -2.4188 H 1 UNL1111111111 0.2371 21 H 2.3217 -1.3175 1.6296 H 1 UNL1111111111 0.2016 22 H 3.5697 -0.0634 1.2193 H 1 UNL1111111111 0.3323 23 H -0.9499 -0.7906 0.9522 H 1 UNL1111111111 0.4149 24 H -1.4576 2.0121 0.7447 H 1 UNL1111111111 0.3780 25 H 1.6531 2.9179 0.6020 H 1 UNL1111111111 0.3965 26 H 3.1572 -2.4129 -0.3085 H 1 UNL1111111111 0.2809 27 H -4.5432 -1.5140 1.3483 H 1 UNL1111111111 0.2805 28 H -2.9696 -2.2641 1.6633 H 1 UNL1111111111 0.2660 29 H -3.3699 -0.6892 2.3869 H 1 UNL1111111111 0.3029 @BOND 1 1 10 1 2 1 11 1 3 2 7 1 4 2 24 1 5 3 9 1 6 3 25 1 7 4 12 1 8 4 26 1 9 5 13 2 10 6 8 1 11 6 13 am 12 6 23 1 13 7 8 1 14 7 9 1 15 7 15 1 16 8 11 1 17 8 16 1 18 9 10 1 19 9 17 1 20 10 12 1 21 10 18 1 22 11 19 1 23 11 20 1 24 12 21 1 25 12 22 1 26 13 14 1 27 14 27 1 28 14 28 1 29 14 29 1