@MOLECULE (1s,2r,3s,4s,5r,6s)-4-amino-6-methoxy-1,2,3,5-cyclohexanetetrol 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9327 0.1372 -0.4253 O.3 1 UNL111111111111 -0.4172 2 O 1.1957 -0.8933 -1.7871 O.3 1 UNL111111111111 -0.5897 3 O 2.4627 0.0172 0.4320 O.3 1 UNL111111111111 -0.5851 4 O 0.7802 -2.1001 0.5855 O.3 1 UNL111111111111 -0.5721 5 O -0.7601 0.9075 1.8846 O.3 1 UNL111111111111 -0.5503 6 N -0.1310 2.3819 -0.7126 N.3 1 UNL111111111111 -0.6297 7 C 0.8074 1.2510 -0.7223 C.3 1 UNL111111111111 -0.0448 8 C -0.8479 -0.7561 -0.6185 C.3 1 UNL111111111111 -0.0006 9 C 0.1838 0.0450 -1.4574 C.3 1 UNL111111111111 0.1193 10 C 1.3213 0.8225 0.6793 C.3 1 UNL111111111111 0.0561 11 C -0.2714 -1.1723 0.7500 C.3 1 UNL111111111111 0.0522 12 C 0.2874 0.0461 1.5182 C.3 1 UNL111111111111 0.0529 13 C -3.1784 -0.4979 -0.1899 C.3 1 UNL111111111111 -0.1899 14 H 1.7073 1.5918 -1.3174 H 1 UNL111111111111 0.1761 15 H -1.1696 -1.6533 -1.1945 H 1 UNL111111111111 0.1517 16 H -0.2613 0.3557 -2.4315 H 1 UNL111111111111 0.1666 17 H 1.7046 1.7015 1.2454 H 1 UNL111111111111 0.1519 18 H -1.0248 -1.7090 1.3700 H 1 UNL111111111111 0.1535 19 H 0.7293 -0.2667 2.4942 H 1 UNL111111111111 0.1642 20 H 0.1781 3.1245 -0.1035 H 1 UNL111111111111 0.2603 21 H -1.0600 2.1024 -0.4414 H 1 UNL111111111111 0.2598 22 H 2.0541 -0.6415 -1.3562 H 1 UNL111111111111 0.3568 23 H 2.3297 -0.8984 0.7789 H 1 UNL111111111111 0.3500 24 H 1.0717 -2.1212 -0.3642 H 1 UNL111111111111 0.3528 25 H -1.4304 0.9437 1.1627 H 1 UNL111111111111 0.3358 26 H -3.1539 -1.0924 0.7284 H 1 UNL111111111111 0.1311 27 H -3.4669 -1.1117 -1.0500 H 1 UNL111111111111 0.1354 28 H -3.8679 0.3510 -0.0829 H 1 UNL111111111111 0.1530 @BOND 1 1 8 1 2 1 13 1 3 2 9 1 4 2 22 1 5 3 10 1 6 3 23 1 7 4 11 1 8 4 24 1 9 5 12 1 10 5 25 1 11 6 7 1 12 6 20 1 13 6 21 1 14 7 9 1 15 7 10 1 16 7 14 1 17 8 9 1 18 8 11 1 19 8 15 1 20 9 16 1 21 10 12 1 22 10 17 1 23 11 12 1 24 11 18 1 25 12 19 1 26 13 26 1 27 13 27 1 28 13 28 1