@MOLECULE 2-acetamido-1,5-anhydro-2-deoxy-d-glucitol 29 29 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.5156 0.9083 0.2613 C.3 1 UNL1111111111 0.0471 2 C 1.8545 -0.5426 -0.1288 C.3 1 UNL1111111111 -0.0046 3 C 3.2118 -0.9918 0.4394 C.3 1 UNL1111111111 -0.0261 4 C -3.2551 -0.4610 -0.1260 C.2 1 UNL1111111111 0.6178 5 C -4.6033 0.0719 -0.5300 C.3 1 UNL1111111111 -0.5288 6 C -0.4119 -1.2312 0.0307 C.3 1 UNL1111111111 -0.0639 7 C -0.9021 0.1687 0.4563 C.3 1 UNL1111111111 0.0295 8 C 0.0632 1.2323 -0.1306 C.3 1 UNL1111111111 0.0908 9 N -2.2489 0.4803 -0.0365 N.am 1 UNL1111111111 -0.6195 10 O -0.3385 2.4489 0.4664 O.3 1 UNL1111111111 -0.5727 11 O 2.3013 1.8238 -0.4759 O.3 1 UNL1111111111 -0.5710 12 O 0.9186 -1.4193 0.4697 O.3 1 UNL1111111111 -0.3908 13 O 4.1483 -1.0723 -0.6122 O.3 1 UNL1111111111 -0.5511 14 O -3.0435 -1.6395 0.0780 O.2 1 UNL1111111111 -0.5546 15 H 1.6948 1.1143 1.3404 H 1 UNL1111111111 0.1506 16 H 1.8311 -0.6642 -1.2362 H 1 UNL1111111111 0.1466 17 H 3.1282 -1.9603 0.9686 H 1 UNL1111111111 0.1467 18 H 3.6663 -0.2483 1.1217 H 1 UNL1111111111 0.1504 19 H -5.3624 -0.7240 -0.4330 H 1 UNL1111111111 0.1886 20 H -4.9309 0.9121 0.0937 H 1 UNL1111111111 0.1707 21 H -4.6095 0.3965 -1.5781 H 1 UNL1111111111 0.1758 22 H -0.9457 -2.0464 0.5680 H 1 UNL1111111111 0.1912 23 H -0.5009 -1.3990 -1.0542 H 1 UNL1111111111 0.1365 24 H -0.8942 0.2433 1.5784 H 1 UNL1111111111 0.1631 25 H -0.0441 1.3402 -1.2328 H 1 UNL1111111111 0.1450 26 H -2.4428 1.4714 -0.1249 H 1 UNL1111111111 0.3275 27 H 0.3277 3.1481 0.2796 H 1 UNL1111111111 0.3425 28 H 3.1802 1.4366 -0.6901 H 1 UNL1111111111 0.3417 29 H 3.9949 -1.8692 -1.1602 H 1 UNL1111111111 0.3210 @BOND 1 1 8 1 2 1 11 1 3 1 2 1 4 1 15 1 5 2 12 1 6 2 3 1 7 2 16 1 8 3 13 1 9 3 17 1 10 3 18 1 11 4 5 1 12 4 14 2 13 4 9 am 14 5 19 1 15 5 20 1 16 5 21 1 17 6 7 1 18 6 12 1 19 6 22 1 20 6 23 1 21 7 8 1 22 7 9 1 23 7 24 1 24 8 10 1 25 8 25 1 26 9 26 1 27 10 27 1 28 11 28 1 29 13 29 1