@MOLECULE 1-o-[3-(1h-imidazol-4-yl)propanimidoyl]-alpha-d-altropyranose 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0370 0.6778 0.9831 O.3 1 UNL1111111111 -0.4315 2 O 0.1827 0.7346 0.4056 O.2 1 UNL1111111111 -0.4434 3 O -1.1061 -3.1995 0.1404 O.3 1 UNL1111111111 -0.5613 4 O -2.5790 -1.6077 -1.7473 O.3 1 UNL1111111111 -0.5510 5 O 0.7100 -1.5775 1.7680 O.3 1 UNL1111111111 -0.5382 6 O -3.7579 2.1941 -0.7029 O.3 1 UNL1111111111 -0.5426 7 N 0.6107 2.6996 1.4813 N.2 1 UNL1111111111 -0.6354 8 N 3.4688 0.0510 0.4297 N.ar 1 UNL1111111111 -0.3687 9 N 3.1712 -1.6852 -0.9630 N.ar 1 UNL1111111111 -0.3612 10 C -0.9664 -1.7968 0.0441 C.3 1 UNL1111111111 0.0423 11 C -2.3579 -1.2954 -0.3886 C.3 1 UNL1111111111 0.0820 12 C -0.5963 -1.2160 1.4189 C.3 1 UNL1111111111 0.0318 13 C -2.3956 0.2434 -0.3273 C.3 1 UNL1111111111 0.0377 14 C -0.7548 0.3220 1.3974 C.3 1 UNL1111111111 0.2803 15 C -3.8129 0.7968 -0.5133 C.3 1 UNL1111111111 -0.0143 16 C 0.6520 2.0129 0.4076 C.2 1 UNL1111111111 0.4499 17 C 1.2146 2.2967 -0.9615 C.3 1 UNL1111111111 -0.3293 18 C 2.7229 2.0094 -0.9877 C.3 1 UNL1111111111 -0.2500 19 C 2.9852 0.5706 -0.7747 C.ar 1 UNL1111111111 0.0030 20 C 2.8081 -0.5243 -1.6252 C.ar 1 UNL1111111111 -0.0864 21 C 3.5726 -1.3344 0.2681 C.ar 1 UNL1111111111 0.0585 22 H -0.1907 -1.5736 -0.7241 H 1 UNL1111111111 0.1548 23 H -3.1612 -1.7706 0.2162 H 1 UNL1111111111 0.1467 24 H -1.2110 -1.6654 2.2352 H 1 UNL1111111111 0.1777 25 H -1.6959 0.6912 -1.0689 H 1 UNL1111111111 0.1598 26 H -0.6156 0.8380 2.3711 H 1 UNL1111111111 0.1849 27 H -4.4652 0.5744 0.3497 H 1 UNL1111111111 0.1301 28 H -4.2694 0.4177 -1.4498 H 1 UNL1111111111 0.1640 29 H -0.2786 -3.5858 0.5080 H 1 UNL1111111111 0.3400 30 H -2.3750 -2.5592 -1.9005 H 1 UNL1111111111 0.3393 31 H 1.3628 -1.1745 1.1524 H 1 UNL1111111111 0.3301 32 H 0.6977 1.6721 -1.7269 H 1 UNL1111111111 0.1895 33 H 1.0077 3.3469 -1.2496 H 1 UNL1111111111 0.1699 34 H -3.2625 2.6074 0.0365 H 1 UNL1111111111 0.3225 35 H 3.2501 2.6396 -0.2408 H 1 UNL1111111111 0.1527 36 H 3.1410 2.3249 -1.9728 H 1 UNL1111111111 0.1733 37 H 0.9534 3.6386 1.5412 H 1 UNL1111111111 0.2939 38 H 3.6719 0.5801 1.2483 H 1 UNL1111111111 0.3179 39 H 2.4557 -0.5520 -2.6378 H 1 UNL1111111111 0.1853 40 H 3.9334 -2.0004 1.0336 H 1 UNL1111111111 0.1952 @BOND 1 1 13 1 2 1 14 1 3 2 14 1 4 2 16 1 5 3 10 1 6 3 29 1 7 4 11 1 8 4 30 1 9 5 12 1 10 5 31 1 11 6 15 1 12 6 34 1 13 7 16 2 14 7 37 1 15 8 19 ar 16 8 21 ar 17 8 38 1 18 9 20 ar 19 9 21 ar 20 10 11 1 21 10 12 1 22 10 22 1 23 11 13 1 24 11 23 1 25 12 14 1 26 12 24 1 27 13 15 1 28 13 25 1 29 14 26 1 30 15 27 1 31 15 28 1 32 16 17 1 33 17 18 1 34 17 32 1 35 17 33 1 36 18 19 1 37 18 35 1 38 18 36 1 39 19 20 ar 40 20 39 1 41 21 40 1