@MOLECULE 9-(5-{[(2z)-4-amino-2-buten-1-yl](methyl)amino}-5-deoxypentofuranosyl)-9h-purin-6-amine 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3130 0.5536 -0.9585 O.3 1 UNL1111111111 -0.4037 2 O 1.1046 -0.9200 2.1664 O.3 1 UNL1111111111 -0.5436 3 O 0.7381 2.3346 1.7897 O.3 1 UNL1111111111 -0.5631 4 N -1.7888 1.2336 -0.1925 N.ar 1 UNL1111111111 -0.3730 5 N 2.8807 -1.9192 -0.2044 N.3 1 UNL1111111111 -0.4144 6 N -3.9772 1.8151 -0.4869 N.ar 1 UNL1111111111 -0.3360 7 N -2.1192 -1.2197 0.1154 N.ar 1 UNL1111111111 -0.5102 8 N -4.4431 -1.8814 0.0048 N.ar 1 UNL1111111111 -0.5757 9 N -6.1949 -0.3832 -0.3710 N.pl3 1 UNL1111111111 -0.5565 10 N 3.7547 2.3142 -1.4178 N.3 1 UNL1111111111 -0.6245 11 C 0.8931 -0.5424 -0.2310 C.3 1 UNL1111111111 0.0491 12 C 1.2455 0.0430 1.1539 C.3 1 UNL1111111111 0.0628 13 C 0.1648 1.1202 1.3667 C.3 1 UNL1111111111 0.0641 14 C -0.3451 1.4236 -0.0754 C.3 1 UNL1111111111 0.2755 15 C 2.1033 -0.9881 -1.0603 C.3 1 UNL1111111111 -0.1615 16 C -2.5210 0.0581 -0.1042 C.ar 1 UNL1111111111 0.3098 17 C -2.7298 2.2718 -0.4394 C.ar 1 UNL1111111111 0.1313 18 C 4.3342 -1.6065 -0.2323 C.3 1 UNL1111111111 -0.1286 19 C -3.8973 0.4397 -0.2823 C.ar 1 UNL1111111111 -0.2104 20 C 2.6315 -3.3225 -0.5945 C.3 1 UNL1111111111 -0.2806 21 C 4.5828 -0.4229 0.6634 C.2 1 UNL1111111111 -0.1472 22 C -4.8624 -0.5995 -0.2188 C.ar 1 UNL1111111111 0.4666 23 C -3.1173 -2.1242 0.1590 C.ar 1 UNL1111111111 0.2973 24 C 4.8093 0.8313 0.2668 C.2 1 UNL1111111111 -0.2238 25 C 4.8236 1.3267 -1.1511 C.3 1 UNL1111111111 -0.1152 26 H 0.1276 -1.3496 -0.1449 H 1 UNL1111111111 0.1896 27 H 2.2722 0.4617 1.2057 H 1 UNL1111111111 0.1461 28 H -0.6263 0.7966 2.0735 H 1 UNL1111111111 0.1690 29 H -0.0795 2.4567 -0.4226 H 1 UNL1111111111 0.1756 30 H 2.6992 -0.1019 -1.3611 H 1 UNL1111111111 0.1565 31 H 1.7597 -1.4443 -2.0133 H 1 UNL1111111111 0.1462 32 H 1.6437 -1.7094 1.9090 H 1 UNL1111111111 0.3438 33 H 1.0345 2.2643 2.7231 H 1 UNL1111111111 0.3361 34 H -2.4254 3.3007 -0.5591 H 1 UNL1111111111 0.1989 35 H 4.7209 -1.4423 -1.2604 H 1 UNL1111111111 0.1265 36 H 4.8979 -2.4839 0.1661 H 1 UNL1111111111 0.1465 37 H 3.0074 -3.5939 -1.5917 H 1 UNL1111111111 0.1232 38 H 3.0966 -3.9902 0.1493 H 1 UNL1111111111 0.1438 39 H 1.5434 -3.5140 -0.5682 H 1 UNL1111111111 0.1593 40 H 4.5526 -0.6741 1.7268 H 1 UNL1111111111 0.1534 41 H -2.8319 -3.1744 0.3366 H 1 UNL1111111111 0.1981 42 H 4.9902 1.6159 1.0051 H 1 UNL1111111111 0.1490 43 H -6.5368 0.5457 -0.5258 H 1 UNL1111111111 0.3278 44 H -6.8436 -1.1436 -0.3196 H 1 UNL1111111111 0.3226 45 H 4.7109 0.5021 -1.8923 H 1 UNL1111111111 0.1464 46 H 5.8070 1.7976 -1.3862 H 1 UNL1111111111 0.1503 47 H 2.8471 1.9533 -1.1584 H 1 UNL1111111111 0.2568 48 H 3.9078 3.1740 -0.9155 H 1 UNL1111111111 0.2461 @BOND 1 1 11 1 2 1 14 1 3 2 12 1 4 2 32 1 5 3 13 1 6 3 33 1 7 4 14 1 8 4 16 ar 9 4 17 ar 10 5 15 1 11 5 18 1 12 5 20 1 13 6 17 ar 14 6 19 ar 15 7 16 ar 16 7 23 ar 17 8 22 ar 18 8 23 ar 19 9 22 1 20 9 43 1 21 9 44 1 22 10 25 1 23 10 47 1 24 10 48 1 25 11 12 1 26 11 15 1 27 11 26 1 28 12 13 1 29 12 27 1 30 13 14 1 31 13 28 1 32 14 29 1 33 15 30 1 34 15 31 1 35 16 19 ar 36 17 34 1 37 18 21 1 38 18 35 1 39 18 36 1 40 19 22 ar 41 20 37 1 42 20 38 1 43 20 39 1 44 21 24 2 45 21 40 1 46 23 41 1 47 24 25 1 48 24 42 1 49 25 45 1 50 25 46 1