@MOLECULE 2,5-anhydro-1-deoxy-1-phosphono-d-glucitol 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 P 2.2472 0.0461 -0.0011 P.3 1 UNL1111111111 0.2606 2 O -0.6877 -0.4645 0.9718 O.3 1 UNL1111111111 -0.3802 3 O -1.4016 2.1225 -1.1452 O.3 1 UNL1111111111 -0.5525 4 O -3.8381 0.4318 0.5585 O.3 1 UNL1111111111 -0.5478 5 O -0.6961 -2.9491 -0.3707 O.3 1 UNL1111111111 -0.5386 6 O 2.5200 0.5629 1.4938 O.3 1 UNL1111111111 -0.3987 7 O 3.3062 0.8724 -0.8843 O.3 1 UNL1111111111 -0.4143 8 O 2.3735 -1.4064 -0.1575 O.2 1 UNL1111111111 -0.3669 9 C -0.3926 0.8808 0.6278 C.3 1 UNL1111111111 0.1270 10 C -1.7091 1.4907 0.0744 C.3 1 UNL1111111111 0.0357 11 C -2.6472 0.2790 -0.1656 C.3 1 UNL1111111111 0.0542 12 C -1.8367 -0.9449 0.2909 C.3 1 UNL1111111111 -0.0051 13 C 0.7398 0.9697 -0.4184 C.3 1 UNL1111111111 -0.1850 14 C -1.4053 -1.8455 -0.8764 C.3 1 UNL1111111111 -0.0302 15 H -0.1161 1.3364 1.6100 H 1 UNL1111111111 0.1582 16 H -2.1583 2.2305 0.7658 H 1 UNL1111111111 0.1363 17 H -3.0043 0.2218 -1.2154 H 1 UNL1111111111 0.1621 18 H -2.3584 -1.5489 1.0681 H 1 UNL1111111111 0.1632 19 H 1.0027 2.0637 -0.5779 H 1 UNL1111111111 0.2093 20 H 0.3694 0.6000 -1.4258 H 1 UNL1111111111 0.2042 21 H -0.7909 -1.3100 -1.6198 H 1 UNL1111111111 0.1269 22 H -2.2792 -2.3044 -1.3768 H 1 UNL1111111111 0.1401 23 H -2.1813 2.6033 -1.4916 H 1 UNL1111111111 0.3266 24 H -3.6942 0.3293 1.5227 H 1 UNL1111111111 0.3226 25 H 0.1740 -2.6473 -0.0074 H 1 UNL1111111111 0.3467 26 H 3.2106 -0.0322 1.9442 H 1 UNL1111111111 0.3218 27 H 4.1601 0.3333 -0.9958 H 1 UNL1111111111 0.3239 @BOND 1 1 6 1 2 1 7 1 3 1 8 2 4 1 13 1 5 2 9 1 6 2 12 1 7 3 10 1 8 3 23 1 9 4 11 1 10 4 24 1 11 5 14 1 12 5 25 1 13 6 26 1 14 7 27 1 15 9 10 1 16 9 13 1 17 9 15 1 18 10 11 1 19 10 16 1 20 11 12 1 21 11 17 1 22 12 14 1 23 12 18 1 24 13 19 1 25 13 20 1 26 14 21 1 27 14 22 1