@MOLECULE methyl (16e)-9-hydroxy-16-(methoxymethylene)corynan-17-oate 56 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.2265 -1.6672 0.1131 O.3 1 UNL1111111111 -0.4437 2 O -2.3573 -0.3209 -2.2924 O.2 1 UNL1111111111 -0.2635 3 O 5.9254 1.2257 -0.5405 O.3 1 UNL1111111111 -0.4705 4 O -3.9391 -1.5715 1.9485 O.2 1 UNL1111111111 -0.5021 5 N 0.3100 1.7840 0.3074 N.3 1 UNL1111111111 -0.4317 6 N 2.2204 -1.4349 0.6235 N.ar 1 UNL1111111111 -0.3851 7 C 0.4297 0.3893 0.8296 C.3 1 UNL1111111111 0.0513 8 C -2.1322 1.5733 0.0605 C.3 1 UNL1111111111 -0.1163 9 C -2.0447 0.0906 0.4954 C.3 1 UNL1111111111 -0.0762 10 C -0.6518 -0.4601 0.1317 C.3 1 UNL1111111111 -0.2904 11 C -0.9847 2.3672 0.7288 C.3 1 UNL1111111111 -0.1225 12 C 1.8080 -0.0997 0.5314 C.ar 1 UNL1111111111 0.0517 13 C 1.4504 2.6323 0.7351 C.3 1 UNL1111111111 -0.0987 14 C 2.8863 0.7013 0.1895 C.ar 1 UNL1111111111 -0.0816 15 C 2.7381 2.1594 0.0110 C.3 1 UNL1111111111 -0.2587 16 C -3.4862 2.1832 0.4558 C.3 1 UNL1111111111 -0.2731 17 C -3.1150 -0.7340 -0.1521 C.2 1 UNL1111111111 -0.2844 18 C 4.0275 -0.1531 0.0500 C.ar 1 UNL1111111111 -0.2263 19 C 3.5788 -1.4872 0.3229 C.ar 1 UNL1111111111 0.1783 20 C -3.7419 3.5089 -0.2601 C.3 1 UNL1111111111 -0.4348 21 C -4.0686 -1.3508 0.7711 C.2 1 UNL1111111111 0.6177 22 C -3.2572 -0.9227 -1.4820 C.2 1 UNL1111111111 0.1514 23 C 5.3836 0.0131 -0.2640 C.ar 1 UNL1111111111 0.3339 24 C 4.4381 -2.5962 0.2822 C.ar 1 UNL1111111111 -0.2933 25 C 6.2497 -1.0709 -0.3083 C.ar 1 UNL1111111111 -0.3171 26 C 5.7643 -2.3624 -0.0340 C.ar 1 UNL1111111111 -0.0436 27 C -6.2430 -2.2734 0.9010 C.3 1 UNL1111111111 -0.1598 28 C -2.5340 -0.5853 -3.6834 C.3 1 UNL1111111111 -0.2207 29 H 0.2683 0.3509 1.9445 H 1 UNL1111111111 0.1335 30 H -2.0014 1.6303 -1.0472 H 1 UNL1111111111 0.1629 31 H -2.1620 0.0426 1.6116 H 1 UNL1111111111 0.1604 32 H -0.4939 -0.4193 -0.9657 H 1 UNL1111111111 0.1737 33 H -0.5734 -1.5183 0.4277 H 1 UNL1111111111 0.1364 34 H -1.0202 3.4212 0.3774 H 1 UNL1111111111 0.1390 35 H -1.1159 2.3837 1.8311 H 1 UNL1111111111 0.1174 36 H 1.6115 2.6144 1.8335 H 1 UNL1111111111 0.1194 37 H 1.2342 3.6824 0.4463 H 1 UNL1111111111 0.1350 38 H 3.6065 2.7206 0.4038 H 1 UNL1111111111 0.1348 39 H 2.6540 2.3976 -1.0731 H 1 UNL1111111111 0.1640 40 H -3.5416 2.3208 1.5518 H 1 UNL1111111111 0.1389 41 H -4.2999 1.4724 0.2078 H 1 UNL1111111111 0.1428 42 H 1.6350 -2.2096 0.8287 H 1 UNL1111111111 0.3169 43 H -3.0075 4.2712 0.0202 H 1 UNL1111111111 0.1397 44 H -3.6923 3.3894 -1.3485 H 1 UNL1111111111 0.1419 45 H -4.7349 3.9032 -0.0170 H 1 UNL1111111111 0.1403 46 H -4.0382 -1.5216 -1.9460 H 1 UNL1111111111 0.1539 47 H 4.0715 -3.5918 0.4934 H 1 UNL1111111111 0.1591 48 H 7.2955 -0.9169 -0.5542 H 1 UNL1111111111 0.1736 49 H 6.4639 -3.1980 -0.0750 H 1 UNL1111111111 0.1456 50 H 5.2455 1.9441 -0.5045 H 1 UNL1111111111 0.3291 51 H -5.8884 -3.2271 1.3056 H 1 UNL1111111111 0.1375 52 H -7.0595 -2.4194 0.1857 H 1 UNL1111111111 0.1403 53 H -6.5392 -1.6023 1.7148 H 1 UNL1111111111 0.1407 54 H -3.4950 -0.2005 -4.0349 H 1 UNL1111111111 0.1342 55 H -2.4264 -1.6523 -3.8980 H 1 UNL1111111111 0.1358 56 H -1.7058 -0.0189 -4.1335 H 1 UNL1111111111 0.1631 @BOND 1 1 21 1 2 1 27 1 3 2 22 1 4 2 28 1 5 3 23 1 6 3 50 1 7 4 21 2 8 5 7 1 9 5 11 1 10 5 13 1 11 6 12 ar 12 6 19 ar 13 6 42 1 14 7 10 1 15 7 12 1 16 7 29 1 17 8 9 1 18 8 11 1 19 8 16 1 20 8 30 1 21 9 10 1 22 9 17 1 23 9 31 1 24 10 32 1 25 10 33 1 26 11 34 1 27 11 35 1 28 12 14 ar 29 13 15 1 30 13 36 1 31 13 37 1 32 14 15 1 33 14 18 ar 34 15 38 1 35 15 39 1 36 16 20 1 37 16 40 1 38 16 41 1 39 17 21 1 40 17 22 2 41 18 19 ar 42 18 23 ar 43 19 24 ar 44 20 43 1 45 20 44 1 46 20 45 1 47 22 46 1 48 23 25 ar 49 24 26 ar 50 24 47 1 51 25 26 ar 52 25 48 1 53 26 49 1 54 27 51 1 55 27 52 1 56 27 53 1 57 28 54 1 58 28 55 1 59 28 56 1