@MOLECULE 2-amino-6-o-(2-amino-2-deoxy-beta-d-glucopyranosyl)-2-deoxy-d-glucose 47 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6164 -0.5389 0.4503 O.3 1 UNL1111111111 -0.4933 2 O -0.5396 1.3905 0.0084 O.3 1 UNL1111111111 -0.4414 3 O -4.8478 0.7307 -1.7181 O.3 1 UNL1111111111 -0.5475 4 O -4.9906 -1.6510 -0.0180 O.3 1 UNL1111111111 -0.5419 5 O -1.6110 -2.9463 1.9562 O.3 1 UNL1111111111 -0.5346 6 O 1.7160 3.0445 0.1810 O.3 1 UNL1111111111 -0.5660 7 O 3.1216 1.4762 2.0077 O.3 1 UNL1111111111 -0.5851 8 O 4.7986 -0.4704 0.8345 O.3 1 UNL1111111111 -0.5690 9 O 4.6404 -2.5016 -1.9472 O.2 1 UNL1111111111 -0.4387 10 N -3.0658 2.7411 -0.3979 N.3 1 UNL1111111111 -0.6415 11 N 3.8122 0.1084 -1.9178 N.3 1 UNL1111111111 -0.6163 12 C -2.7567 1.3195 -0.6571 C.3 1 UNL1111111111 -0.0759 13 C -4.0686 0.5165 -0.5657 C.3 1 UNL1111111111 0.0742 14 C -3.8061 -0.9919 -0.4086 C.3 1 UNL1111111111 0.0360 15 C -2.8106 -1.2435 0.7397 C.3 1 UNL1111111111 0.0592 16 C -1.7653 0.8736 0.4506 C.3 1 UNL1111111111 0.3261 17 C -2.3719 -2.7133 0.7919 C.3 1 UNL1111111111 -0.0181 18 C 1.7584 1.6346 0.0187 C.3 1 UNL1111111111 0.0803 19 C 0.5895 1.0028 0.7878 C.3 1 UNL1111111111 -0.0783 20 C 3.1212 1.2392 0.6099 C.3 1 UNL1111111111 0.0877 21 C 3.4372 -0.2661 0.5078 C.3 1 UNL1111111111 0.1139 22 CA 3.2926 -0.8401 -0.9182 C.3 1 UNL1111111111 -0.1021 23 C 4.0139 -2.1934 -0.9660 C.2 1 UNL1111111111 0.3268 24 H -2.2756 1.1468 -1.6545 H 1 UNL1111111111 0.1448 25 H -4.7356 0.9061 0.2446 H 1 UNL1111111111 0.1849 26 H -3.4576 -1.4474 -1.3609 H 1 UNL1111111111 0.1367 27 H -3.2211 -0.9137 1.7202 H 1 UNL1111111111 0.1545 28 H -2.0148 1.2256 1.4710 H 1 UNL1111111111 0.1343 29 H -3.2460 -3.3865 0.9027 H 1 UNL1111111111 0.1671 30 H -1.7761 -3.0008 -0.0933 H 1 UNL1111111111 0.1302 31 H 1.7059 1.4143 -1.0756 H 1 UNL1111111111 0.1703 32 H 0.4908 1.4145 1.8078 H 1 UNL1111111111 0.1419 33 H 0.6588 -0.0959 0.8343 H 1 UNL1111111111 0.1411 34 H -3.8003 3.0725 -1.0079 H 1 UNL1111111111 0.2685 35 H -2.2458 3.3183 -0.5059 H 1 UNL1111111111 0.2592 36 H 3.9292 1.8573 0.1495 H 1 UNL1111111111 0.1630 37 H 2.8254 -0.8454 1.2393 H 1 UNL1111111111 0.1354 38 H -4.3774 0.4588 -2.5340 H 1 UNL1111111111 0.3158 39 H -5.7521 -1.3093 -0.5413 H 1 UNL1111111111 0.3362 40 HA 2.2035 -1.0101 -1.1431 H 1 UNL1111111111 0.1684 41 H -0.8681 -2.3070 1.9985 H 1 UNL1111111111 0.3184 42 H 0.8066 3.3627 -0.0012 H 1 UNL1111111111 0.3318 43 H 2.8800 2.4137 2.1790 H 1 UNL1111111111 0.3452 44 H 5.0168 -0.0048 1.6740 H 1 UNL1111111111 0.3453 45 H1 3.8198 -0.3093 -2.8417 H 1 UNL1111111111 0.2650 46 H2 4.7640 0.3754 -1.6932 H 1 UNL1111111111 0.2636 47 H 3.9303 -2.8524 -0.0981 H 1 UNL1111111111 0.1242 @BOND 1 1 15 1 2 1 16 1 3 2 16 1 4 2 19 1 5 3 13 1 6 3 38 1 7 4 14 1 8 4 39 1 9 5 17 1 10 5 41 1 11 6 18 1 12 6 42 1 13 7 20 1 14 7 43 1 15 8 21 1 16 8 44 1 17 9 23 2 18 10 12 1 19 10 34 1 20 10 35 1 21 11 22 1 22 11 45 1 23 11 46 1 24 12 13 1 25 12 16 1 26 12 24 1 27 13 14 1 28 13 25 1 29 14 15 1 30 14 26 1 31 15 17 1 32 15 27 1 33 16 28 1 34 17 29 1 35 17 30 1 36 18 19 1 37 18 20 1 38 18 31 1 39 19 32 1 40 19 33 1 41 20 21 1 42 20 36 1 43 21 22 1 44 21 37 1 45 22 23 1 46 22 40 1 47 23 47 1