@MOLECULE 1-deoxymannojirimycin 24 24 0 0 0 SMALL USER_CHARGES @ATOM 1 O1 -1.0258 -1.8127 -0.2012 O.3 1 <1> -0.5887 2 O2 1.8155 -1.8776 0.0702 O.3 1 <1> -0.5703 3 O3 2.2017 0.6139 1.0589 O.3 1 <1> -0.5634 4 O4 -3.1988 -0.2464 0.1063 O.3 1 <1> -0.5551 5 N1 -0.1476 1.8176 -0.0478 N.3 1 <1> -0.5143 6 C1 -0.2816 -0.6801 0.1882 C.3 1 <1> 0.0607 7 C2 -0.9824 0.6222 -0.2806 C.3 1 <1> -0.0710 8 C3 1.0737 -0.8315 -0.5264 C.3 1 <1> 0.0637 9 C4 1.9353 0.4320 -0.3177 C.3 1 <1> 0.0813 10 C5 1.1525 1.6953 -0.7379 C.3 1 <1> -0.1413 11 C6 -2.3205 0.8050 0.4646 C.3 1 <1> -0.0195 12 H1 -0.1587 -0.7128 1.2929 H 1 <1> 0.1420 13 H2 -1.1852 0.5470 -1.3811 H 1 <1> 0.1578 14 H3 0.9394 -1.0755 -1.6025 H 1 <1> 0.1421 15 H4 2.9087 0.3429 -0.8460 H 1 <1> 0.1382 16 H5 1.7518 2.6029 -0.4934 H 1 <1> 0.1647 17 H6 0.9867 1.7029 -1.8352 H 1 <1> 0.1482 18 H7 0.0148 1.9571 0.9548 H 1 <1> 0.2704 19 H8 -2.7819 1.7830 0.2400 H 1 <1> 0.1390 20 H9 -2.2225 0.6872 1.5596 H 1 <1> 0.1494 21 H10 -1.9851 -1.6504 -0.0278 H 1 <1> 0.3554 22 H11 1.2438 -2.6748 0.1578 H 1 <1> 0.3457 23 H12 2.4925 -0.2434 1.4491 H 1 <1> 0.3421 24 H13 -3.5390 -0.1229 -0.8042 H 1 <1> 0.3227 @BOND 1 17 10 1 2 14 8 1 3 13 7 1 4 15 9 1 5 24 4 1 6 10 16 1 7 10 9 1 8 10 5 1 9 8 9 1 10 8 2 1 11 8 6 1 12 9 3 1 13 7 5 1 14 7 6 1 15 7 11 1 16 1 21 1 17 1 6 1 18 5 18 1 19 2 22 1 20 4 11 1 21 6 12 1 22 19 11 1 23 11 20 1 24 3 23 1