@MOLECULE 2-deoxy-d-glucose 23 23 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.7688 0.8268 -0.1840 O.3 1 UNL111111111 -0.5036 2 O 0.4489 -1.5057 -1.2079 O.3 1 UNL111111111 -0.5397 3 O 2.7518 -1.2179 0.2778 O.3 1 UNL111111111 -0.5371 4 O 0.2412 2.8175 -0.3970 O.3 1 UNL111111111 -0.5366 5 O -3.3100 -0.3490 0.3591 O.3 1 UNL111111111 -0.5370 6 C 0.3373 -1.2688 0.1765 C.3 1 UNL111111111 0.0305 7 C 1.5996 -0.5106 0.6547 C.3 1 UNL111111111 0.1174 8 C -0.9096 -0.4215 0.4757 C.3 1 UNL111111111 0.0234 9 C 1.6371 0.9006 0.0558 C.3 1 UNL111111111 -0.4337 10 C 0.3100 1.6213 0.3102 C.3 1 UNL111111111 0.3750 11 C -2.1797 -1.0190 -0.1494 C.3 1 UNL111111111 -0.0111 12 H 0.2859 -2.2922 0.6080 H 1 UNL111111111 0.1641 13 H 1.6701 -0.4910 1.7660 H 1 UNL111111111 0.1467 14 H -1.0491 -0.2505 1.5660 H 1 UNL111111111 0.1456 15 H 2.4779 1.4797 0.4861 H 1 UNL111111111 0.1805 16 H 1.8578 0.8533 -1.0268 H 1 UNL111111111 0.1668 17 H 0.1206 1.9112 1.3647 H 1 UNL111111111 0.1375 18 H -2.3354 -2.0712 0.1531 H 1 UNL111111111 0.1530 19 H -2.1697 -0.9457 -1.2524 H 1 UNL111111111 0.1374 20 H 0.2580 -0.6760 -1.7039 H 1 UNL111111111 0.3279 21 H 2.6570 -1.5593 -0.6424 H 1 UNL111111111 0.3330 22 H 0.1028 2.6707 -1.3578 H 1 UNL111111111 0.3335 23 H -3.2372 0.6131 0.1695 H 1 UNL111111111 0.3264 @BOND 1 20 2 1 2 22 4 1 3 19 11 1 4 2 6 1 5 16 9 1 6 21 3 1 7 4 10 1 8 1 10 1 9 1 8 1 10 11 18 1 11 11 5 1 12 11 8 1 13 9 10 1 14 9 15 1 15 9 7 1 16 23 5 1 17 6 8 1 18 6 12 1 19 6 7 1 20 3 7 1 21 10 17 1 22 8 14 1 23 7 13 1