@MOLECULE (3beta,19e)-coryn-19-en-16-one 44 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0802 1.0663 1.8060 O.2 1 UNL1111111111 -0.4588 2 N -0.8525 -1.4114 0.1765 N.3 1 UNL1111111111 -0.4195 3 N 1.7367 1.3094 -0.0578 N.ar 1 UNL1111111111 -0.3945 4 C -0.4523 0.0202 0.3179 C.3 1 UNL1111111111 0.0428 5 C -1.2252 0.7955 -0.7702 C.3 1 UNL1111111111 -0.2726 6 C 1.0240 0.1190 0.1224 C.ar 1 UNL1111111111 0.0542 7 C -2.7417 0.6902 -0.5345 C.3 1 UNL1111111111 -0.2252 8 C 0.0218 -2.3177 0.9631 C.3 1 UNL1111111111 -0.1022 9 C -2.2761 -1.5682 0.5627 C.3 1 UNL1111111111 -0.1255 10 C 1.9010 -0.9551 0.1417 C.ar 1 UNL1111111111 -0.0959 11 C 1.4306 -2.3414 0.3184 C.3 1 UNL1111111111 -0.2514 12 C -3.1540 -0.7389 -0.3416 C.2 1 UNL1111111111 -0.0016 13 C 3.2240 -0.4384 -0.0435 C.ar 1 UNL1111111111 -0.0787 14 C 3.0908 0.9854 -0.1642 C.ar 1 UNL1111111111 0.1133 15 C -3.1165 1.5149 0.6892 C.2 1 UNL1111111111 0.4958 16 C -4.2496 -1.2719 -0.8974 C.2 1 UNL1111111111 -0.1769 17 C 4.4963 -1.0118 -0.1175 C.ar 1 UNL1111111111 -0.1028 18 C 4.2001 1.8200 -0.3541 C.ar 1 UNL1111111111 -0.2168 19 C -3.5304 2.9341 0.4290 C.3 1 UNL1111111111 -0.5540 20 C -5.2082 -0.5294 -1.7621 C.3 1 UNL1111111111 -0.4380 21 C 5.5887 -0.1842 -0.3061 C.ar 1 UNL1111111111 -0.1984 22 C 5.4411 1.2147 -0.4225 C.ar 1 UNL1111111111 -0.1161 23 H -0.7176 0.4273 1.3355 H 1 UNL1111111111 0.1482 24 H -0.9059 1.8487 -0.8074 H 1 UNL1111111111 0.1312 25 H -0.9804 0.3510 -1.7606 H 1 UNL1111111111 0.1771 26 H -3.2596 1.1136 -1.4334 H 1 UNL1111111111 0.1636 27 H -0.4134 -3.3385 0.9314 H 1 UNL1111111111 0.1362 28 H 0.1000 -2.0196 2.0296 H 1 UNL1111111111 0.1224 29 H -2.4742 -1.2709 1.6227 H 1 UNL1111111111 0.1502 30 H -2.5321 -2.6486 0.4746 H 1 UNL1111111111 0.1455 31 H 1.3796 -2.8525 -0.6686 H 1 UNL1111111111 0.1635 32 H 2.1227 -2.9348 0.9455 H 1 UNL1111111111 0.1462 33 H 1.3528 2.2214 -0.0979 H 1 UNL1111111111 0.3119 34 H -4.5035 -2.3193 -0.7364 H 1 UNL1111111111 0.1491 35 H 4.6115 -2.0889 -0.0281 H 1 UNL1111111111 0.1508 36 H 4.0843 2.8934 -0.4419 H 1 UNL1111111111 0.1534 37 H -4.5896 2.9759 0.1377 H 1 UNL1111111111 0.1760 38 H -3.4278 3.5507 1.3352 H 1 UNL1111111111 0.1825 39 H -2.9459 3.4071 -0.3681 H 1 UNL1111111111 0.1687 40 H -5.6762 0.3069 -1.2242 H 1 UNL1111111111 0.1498 41 H -6.0230 -1.1735 -2.1197 H 1 UNL1111111111 0.1498 42 H -4.7144 -0.1182 -2.6550 H 1 UNL1111111111 0.1530 43 H 6.5873 -0.6098 -0.3671 H 1 UNL1111111111 0.1480 44 H 6.3324 1.8227 -0.5700 H 1 UNL1111111111 0.1453 @BOND 1 1 15 2 2 2 4 1 3 2 8 1 4 2 9 1 5 3 6 ar 6 3 14 ar 7 3 33 1 8 4 5 1 9 4 6 1 10 4 23 1 11 5 7 1 12 5 24 1 13 5 25 1 14 6 10 ar 15 7 12 1 16 7 15 1 17 7 26 1 18 8 11 1 19 8 27 1 20 8 28 1 21 9 12 1 22 9 29 1 23 9 30 1 24 10 11 1 25 10 13 ar 26 11 31 1 27 11 32 1 28 12 16 2 29 13 14 ar 30 13 17 ar 31 14 18 ar 32 15 19 1 33 16 20 1 34 16 34 1 35 17 21 ar 36 17 35 1 37 18 22 ar 38 18 36 1 39 19 37 1 40 19 38 1 41 19 39 1 42 20 40 1 43 20 41 1 44 20 42 1 45 21 22 ar 46 21 43 1 47 22 44 1