@MOLECULE anisodamine 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.4637 0.5103 2.2323 O.3 1 UNL1111111111 -0.5465 2 O 0.1284 0.9231 -0.3319 O.3 1 UNL1111111111 -0.4597 3 O 0.5583 1.3840 1.8230 O.2 1 UNL1111111111 -0.5006 4 O 3.8006 2.2752 -1.4570 O.3 1 UNL1111111111 -0.5391 5 N -3.1766 -1.1590 -0.9969 N.3 1 UNL1111111111 -0.4174 6 C -2.8878 -1.1438 0.4644 C.3 1 UNL1111111111 -0.0117 7 C -3.3850 0.2902 -1.2923 C.3 1 UNL1111111111 0.0517 8 C -3.9099 -0.1184 1.0704 C.3 1 UNL1111111111 0.1242 9 C -4.1801 0.8711 -0.0888 C.3 1 UNL1111111111 -0.3927 10 C -1.4341 -0.6533 0.5994 C.3 1 UNL1111111111 -0.3392 11 C -1.9679 0.8982 -1.3723 C.3 1 UNL1111111111 -0.3213 12 C -1.2629 0.7436 -0.0184 C.3 1 UNL1111111111 0.1643 13 C -4.3366 -1.9949 -1.3506 C.3 1 UNL1111111111 -0.2799 14 C 0.9554 1.2124 0.7007 C.2 1 UNL1111111111 0.6127 15 C 2.3819 1.2791 0.2172 C.3 1 UNL1111111111 -0.2557 16 C 2.9615 -0.1056 0.1899 C.ar 1 UNL1111111111 -0.0155 17 C 2.4648 1.9312 -1.1798 C.3 1 UNL1111111111 0.0198 18 C 4.1369 -0.3749 0.8930 C.ar 1 UNL1111111111 -0.1594 19 C 2.3418 -1.1214 -0.5427 C.ar 1 UNL1111111111 -0.1607 20 C 4.6909 -1.6531 0.8597 C.ar 1 UNL1111111111 -0.1414 21 C 2.8963 -2.3977 -0.5715 C.ar 1 UNL1111111111 -0.1420 22 C 4.0722 -2.6648 0.1281 C.ar 1 UNL1111111111 -0.1467 23 H -2.9995 -2.1500 0.9152 H 1 UNL1111111111 0.1459 24 H -3.9201 0.4311 -2.2529 H 1 UNL1111111111 0.1348 25 H -4.8348 -0.6196 1.4247 H 1 UNL1111111111 0.1412 26 H -3.8667 1.8917 0.1739 H 1 UNL1111111111 0.1641 27 H -5.2533 0.9374 -0.3154 H 1 UNL1111111111 0.1497 28 H -1.1131 -0.6597 1.6582 H 1 UNL1111111111 0.1641 29 H -0.7666 -1.3695 0.0742 H 1 UNL1111111111 0.1744 30 H -1.3870 0.3680 -2.1567 H 1 UNL1111111111 0.1756 31 H -2.0092 1.9564 -1.6770 H 1 UNL1111111111 0.1469 32 H -1.5611 1.5524 0.6866 H 1 UNL1111111111 0.1299 33 H -5.2842 -1.6989 -0.8788 H 1 UNL1111111111 0.1232 34 H -4.1203 -3.0412 -1.0752 H 1 UNL1111111111 0.1493 35 H -4.4688 -1.9701 -2.4459 H 1 UNL1111111111 0.1479 36 H -2.5643 0.8895 2.1385 H 1 UNL1111111111 0.3257 37 H 2.9550 1.9316 0.9350 H 1 UNL1111111111 0.1976 38 H 1.9394 2.9045 -1.2126 H 1 UNL1111111111 0.1509 39 H 2.0721 1.2696 -1.9730 H 1 UNL1111111111 0.1335 40 H 4.6216 0.4087 1.4742 H 1 UNL1111111111 0.1577 41 H 1.4186 -0.9179 -1.0896 H 1 UNL1111111111 0.1713 42 H 4.3666 1.4757 -1.4853 H 1 UNL1111111111 0.3184 43 H 5.6070 -1.8612 1.4098 H 1 UNL1111111111 0.1518 44 H 2.4089 -3.1883 -1.1397 H 1 UNL1111111111 0.1531 45 H 4.5047 -3.6630 0.1055 H 1 UNL1111111111 0.1500 @BOND 1 1 8 1 2 1 36 1 3 2 12 1 4 2 14 1 5 3 14 2 6 4 17 1 7 4 42 1 8 5 6 1 9 5 7 1 10 5 13 1 11 6 8 1 12 6 10 1 13 6 23 1 14 7 9 1 15 7 11 1 16 7 24 1 17 8 9 1 18 8 25 1 19 9 26 1 20 9 27 1 21 10 12 1 22 10 28 1 23 10 29 1 24 11 12 1 25 11 30 1 26 11 31 1 27 12 32 1 28 13 33 1 29 13 34 1 30 13 35 1 31 14 15 1 32 15 16 1 33 15 17 1 34 15 37 1 35 16 18 ar 36 16 19 ar 37 17 38 1 38 17 39 1 39 18 20 ar 40 18 40 1 41 19 21 ar 42 19 41 1 43 20 22 ar 44 20 43 1 45 21 22 ar 46 21 44 1 47 22 45 1