@MOLECULE 2-amino-2-deoxy-6-o-phosphono-d-glucitol 32 31 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.9272 0.8305 0.1901 C.3 1 UNL1111111111 -0.0479 2 O -6.0988 0.2599 -0.3722 O.3 1 UNL1111111111 -0.5675 3 CA -3.7815 -0.0136 -0.4110 C.3 1 UNL1111111111 -0.0229 4 N -3.9712 -1.4599 -0.1581 N.3 1 UNL1111111111 -0.6397 5 C -2.4423 0.4542 0.2166 C.3 1 UNL1111111111 0.0728 6 O -2.4551 0.1526 1.5913 O.3 1 UNL1111111111 -0.5526 7 C -1.2317 -0.2097 -0.4754 C.3 1 UNL1111111111 0.0817 8 O -1.1414 -1.5617 -0.0813 O.3 1 UNL1111111111 -0.5900 9 C 0.0835 0.4383 0.0092 C.3 1 UNL1111111111 0.1076 10 O 0.0258 1.7484 -0.5306 O.3 1 UNL1111111111 -0.5818 11 C 1.2987 -0.3189 -0.5552 C.3 1 UNL1111111111 -0.0524 12 O 2.3517 0.2107 0.2803 O.3 1 UNL1111111111 -0.3518 13 P 3.9002 -0.0160 -0.0730 P.3 1 UNL1111111111 0.3498 14 O 4.3528 0.3007 -1.4136 O.2 1 UNL1111111111 -0.2566 15 O 4.4932 0.8111 1.1629 O.3 1 UNL1111111111 -0.3461 16 O 4.2391 -1.5038 0.3632 O.3 1 UNL1111111111 -0.2856 17 H1 -4.9661 0.7441 1.2907 H 1 UNL1111111111 0.1357 18 H2 -4.8590 1.8914 -0.1013 H 1 UNL1111111111 0.1236 19 H -6.8959 0.7180 -0.0467 H 1 UNL1111111111 0.3210 20 HA -3.7539 0.1413 -1.5205 H 1 UNL1111111111 0.1565 21 H1 -4.1895 -1.6278 0.8162 H 1 UNL1111111111 0.2546 22 H2 -4.7443 -1.8168 -0.7078 H 1 UNL1111111111 0.2668 23 H -2.3534 1.5666 0.1872 H 1 UNL1111111111 0.1645 24 H -2.0756 -0.7459 1.7418 H 1 UNL1111111111 0.3360 25 H -1.3168 -0.1578 -1.5828 H 1 UNL1111111111 0.1398 26 H -2.0131 -2.0120 -0.2632 H 1 UNL1111111111 0.3644 27 H 0.1263 0.5180 1.1191 H 1 UNL1111111111 0.1517 28 H 0.8891 2.1937 -0.4077 H 1 UNL1111111111 0.3376 29 H 1.1919 -1.4135 -0.3973 H 1 UNL1111111111 0.1563 30 H 1.4303 -0.1085 -1.6345 H 1 UNL1111111111 0.1441 31 H 4.4331 1.8098 0.9459 H 1 UNL1111111111 0.3187 32 H 3.9694 -1.6273 1.3504 H 1 UNL1111111111 0.3119 @BOND 1 1 2 1 2 1 3 1 3 1 17 1 4 1 18 1 5 2 19 1 6 3 4 1 7 3 5 1 8 3 20 1 9 4 21 1 10 4 22 1 11 5 6 1 12 5 7 1 13 5 23 1 14 6 24 1 15 7 8 1 16 7 9 1 17 7 25 1 18 8 26 1 19 9 10 1 20 9 11 1 21 9 27 1 22 10 28 1 23 11 12 1 24 11 29 1 25 11 30 1 26 12 13 1 27 13 14 2 28 13 15 1 29 13 16 1 30 15 31 1 31 16 32 1