@MOLECULE gnetin c 53 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7270 0.9547 1.3375 O.3 1 UNL111111 -0.3199 2 O 0.6386 -2.0512 -2.1999 O.3 1 UNL111111 -0.4427 3 O 6.3705 -2.4398 -1.0997 O.3 1 UNL111111 -0.4683 4 O 3.2752 -4.5057 1.6833 O.3 1 UNL111111 -0.4666 5 O 4.4074 5.7143 -0.3856 O.3 1 UNL111111 -0.4735 6 O -9.9840 0.0554 0.1142 O.3 1 UNL111111 -0.3052 7 C 2.0899 -0.1807 -0.3401 C.3 1 UNL111111 -0.1357 8 C 2.1086 0.7736 0.9087 C.3 1 UNL111111 0.1050 9 C 0.6447 -0.5406 -0.4221 C.ar 1 UNL111111 -0.2536 10 C -0.0652 0.1791 0.5557 C.ar 1 UNL111111 0.2927 11 C 3.0202 -1.3365 -0.1253 C.ar 1 UNL111111 0.1568 12 C 2.6753 2.1113 0.5756 C.ar 1 UNL111111 -0.1369 13 C -0.0682 -1.3774 -1.2662 C.ar 1 UNL111111 0.3454 14 C -1.4416 0.1119 0.7066 C.ar 1 UNL111111 -0.3247 15 C 2.6570 -2.3924 0.7090 C.ar 1 UNL111111 -0.3908 16 C 4.2691 -1.3177 -0.7480 C.ar 1 UNL111111 -0.4008 17 C -2.1255 -0.7422 -0.1689 C.ar 1 UNL111111 0.1160 18 C -1.4616 -1.4948 -1.1392 C.ar 1 UNL111111 -0.3792 19 C 1.8459 3.1779 0.2291 C.ar 1 UNL111111 -0.0497 20 C 4.0663 2.2730 0.6019 C.ar 1 UNL111111 -0.0819 21 C 5.1425 -2.3882 -0.5279 C.ar 1 UNL111111 0.3632 22 C 3.5637 -3.4418 0.8950 C.ar 1 UNL111111 0.3614 23 C 2.3941 4.4145 -0.0997 C.ar 1 UNL111111 -0.3146 24 C 4.6353 3.4938 0.2722 C.ar 1 UNL111111 -0.2453 25 C 4.8220 -3.4690 0.2933 C.ar 1 UNL111111 -0.3611 26 C -3.5807 -0.8376 -0.0749 C.2 1 UNL111111 -0.1294 27 C 3.7827 4.5501 -0.0742 C.ar 1 UNL111111 0.2980 28 C -4.3591 0.2655 -0.0805 C.2 1 UNL111111 -0.1693 29 C -5.7952 0.2126 -0.0152 C.ar 1 UNL111111 0.0478 30 C -6.4944 -0.7945 0.7606 C.ar 1 UNL111111 -0.2152 31 C -6.5933 1.1582 -0.7267 C.ar 1 UNL111111 -0.2182 32 C -7.8205 -0.7530 0.7335 C.ar 1 UNL111111 -0.0460 33 C -7.9270 1.0247 -0.6309 C.ar 1 UNL111111 -0.0449 34 C -8.7746 0.1043 0.0756 C.ar 1 UNL111111 0.3536 35 H 2.3840 0.3839 -1.2631 H 1 UNL111111 0.1797 36 H 2.5941 0.3029 1.7922 H 1 UNL111111 0.1612 37 H -1.9568 0.6841 1.4691 H 1 UNL111111 0.1834 38 H 1.6842 -2.4054 1.1868 H 1 UNL111111 0.1735 39 H 4.5519 -0.5001 -1.4010 H 1 UNL111111 0.1695 40 H -2.0170 -2.1508 -1.7986 H 1 UNL111111 0.1698 41 H 0.7618 3.0445 0.2182 H 1 UNL111111 0.1652 42 H 4.7058 1.4331 0.8795 H 1 UNL111111 0.1602 43 H 1.7545 5.2480 -0.3668 H 1 UNL111111 0.1617 44 H 5.7112 3.6473 0.2809 H 1 UNL111111 0.1765 45 H 5.5123 -4.2908 0.4508 H 1 UNL111111 0.1968 46 H -3.9944 -1.8460 -0.0276 H 1 UNL111111 0.1655 47 H 0.0645 -2.6490 -2.7428 H 1 UNL111111 0.3281 48 H -3.9152 1.2618 -0.1825 H 1 UNL111111 0.1740 49 H 6.5425 -1.6647 -1.6887 H 1 UNL111111 0.3294 50 H 2.3704 -4.4448 2.0776 H 1 UNL111111 0.3297 51 H 3.7707 6.4343 -0.6125 H 1 UNL111111 0.3292 52 H -5.9359 -1.5266 1.3410 H 1 UNL111111 0.1903 53 H -6.1185 1.9342 -1.3288 H 1 UNL111111 0.1900 @BOND 1 6 34 1 2 34 33 ar 3 34 32 ar 4 33 31 ar 5 32 30 ar 6 31 53 1 7 31 29 ar 8 30 29 ar 9 30 52 1 10 29 28 1 11 28 48 1 12 28 26 2 13 46 26 1 14 26 17 1 15 17 14 ar 16 17 18 ar 17 37 14 1 18 40 18 1 19 14 10 ar 20 18 13 ar 21 10 9 ar 22 10 1 1 23 13 9 ar 24 13 2 1 25 47 2 1 26 41 19 1 27 9 7 1 28 1 8 1 29 43 23 1 30 19 23 ar 31 19 12 ar 32 23 27 ar 33 7 8 1 34 7 35 1 35 7 11 1 36 8 12 1 37 8 36 1 38 38 15 1 39 12 20 ar 40 51 5 1 41 15 11 ar 42 15 22 ar 43 27 5 1 44 27 24 ar 45 11 16 ar 46 50 4 1 47 20 24 ar 48 20 42 1 49 4 22 1 50 22 25 ar 51 24 44 1 52 16 39 1 53 16 21 ar 54 25 21 ar 55 25 45 1 56 21 3 1 57 3 49 1