@MOLECULE methyl (7alpha,16e,20beta)-7-hydroxy-9-methoxy-16-(methoxymethylene)-1,2-didehydro-2,7-dihydrocorynan-17-oate 60 63 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.6743 1.3834 1.7781 O.3 1 UNL1111111111 -0.5357 2 O 5.4563 1.0929 0.0745 O.3 1 UNL1111111111 -0.2952 3 O -2.8372 -2.7230 0.4979 O.3 1 UNL1111111111 -0.3851 4 O -5.1819 0.9609 1.2158 O.2 1 UNL1111111111 -0.2894 5 O -3.8987 -2.2548 -1.4275 O.2 1 UNL1111111111 -0.5106 6 N -0.1516 1.7193 -0.2900 N.3 1 UNL1111111111 -0.4230 7 N 1.4868 -1.3343 0.2637 N.2 1 UNL1111111111 -0.3933 8 C -0.0882 0.5900 0.6870 C.3 1 UNL1111111111 0.0417 9 C -2.6326 1.5010 -0.4705 C.3 1 UNL1111111111 -0.1115 10 C -2.5903 0.3154 0.5279 C.3 1 UNL1111111111 -0.0817 11 C -1.2386 -0.3972 0.4163 C.3 1 UNL1111111111 -0.2918 12 C -1.4426 2.4403 -0.1645 C.3 1 UNL1111111111 -0.1239 13 C 2.5195 0.8197 0.5003 C.3 1 UNL1111111111 0.2700 14 C 1.2345 -0.0806 0.4970 C.2 1 UNL1111111111 0.1727 15 C 0.9799 2.6690 -0.1139 C.3 1 UNL1111111111 -0.1057 16 C 2.3061 1.9693 -0.4705 C.3 1 UNL1111111111 -0.3018 17 C -2.6024 1.0426 -1.9374 C.3 1 UNL1111111111 -0.2645 18 C 3.5593 -0.2125 0.1630 C.ar 1 UNL1111111111 -0.3237 19 C -3.7557 -0.5986 0.3094 C.2 1 UNL1111111111 -0.2389 20 C 2.9007 -1.4682 0.0584 C.ar 1 UNL1111111111 0.2191 21 C -3.1459 2.1210 -2.8750 C.3 1 UNL1111111111 -0.4369 22 C 4.9271 -0.1480 -0.0408 C.ar 1 UNL1111111111 0.2957 23 C 3.5863 -2.6344 -0.2319 C.ar 1 UNL1111111111 -0.2427 24 C -3.5262 -1.9021 -0.3361 C.2 1 UNL1111111111 0.6150 25 C -5.0161 -0.2612 0.6387 C.2 1 UNL1111111111 0.0970 26 C 5.6414 -1.3238 -0.3357 C.ar 1 UNL1111111111 -0.3270 27 C 4.9699 -2.5377 -0.4256 C.ar 1 UNL1111111111 -0.0423 28 C 6.8571 1.2258 -0.1294 C.3 1 UNL1111111111 -0.2064 29 C -2.4009 -3.9580 -0.0609 C.3 1 UNL1111111111 -0.1769 30 C -6.5323 1.2774 1.5410 C.3 1 UNL1111111111 -0.2115 31 H -0.1445 0.9558 1.7516 H 1 UNL1111111111 0.1457 32 H -3.5780 2.0685 -0.2920 H 1 UNL1111111111 0.1384 33 H -2.6797 0.7401 1.5657 H 1 UNL1111111111 0.1496 34 H -1.1124 -0.8440 -0.5918 H 1 UNL1111111111 0.1729 35 H -1.1725 -1.2443 1.1291 H 1 UNL1111111111 0.1706 36 H -1.4397 3.2683 -0.9080 H 1 UNL1111111111 0.1417 37 H -1.5775 2.9007 0.8374 H 1 UNL1111111111 0.1100 38 H 1.0410 3.0821 0.9171 H 1 UNL1111111111 0.1338 39 H 0.8220 3.5233 -0.8072 H 1 UNL1111111111 0.1393 40 H 2.2762 1.5917 -1.5121 H 1 UNL1111111111 0.1702 41 H 3.1498 2.6828 -0.4110 H 1 UNL1111111111 0.1653 42 H -1.5628 0.7776 -2.2231 H 1 UNL1111111111 0.1661 43 H -3.1941 0.1146 -2.0625 H 1 UNL1111111111 0.1495 44 H 3.2518 0.8255 2.3408 H 1 UNL1111111111 0.3275 45 H -4.1818 2.3786 -2.6321 H 1 UNL1111111111 0.1338 46 H -3.1278 1.7758 -3.9151 H 1 UNL1111111111 0.1412 47 H -2.5492 3.0373 -2.8237 H 1 UNL1111111111 0.1362 48 H 3.0646 -3.5839 -0.3093 H 1 UNL1111111111 0.1791 49 H -5.8964 -0.8747 0.4860 H 1 UNL1111111111 0.1480 50 H 6.7132 -1.2908 -0.4966 H 1 UNL1111111111 0.1646 51 H 5.5355 -3.4423 -0.6561 H 1 UNL1111111111 0.1495 52 H 7.0064 2.3047 0.0196 H 1 UNL1111111111 0.1558 53 H 7.1344 0.9381 -1.1480 H 1 UNL1111111111 0.1362 54 H 7.4183 0.6559 0.6170 H 1 UNL1111111111 0.1352 55 H -1.9424 -4.4652 0.7956 H 1 UNL1111111111 0.1451 56 H -1.6609 -3.7634 -0.8464 H 1 UNL1111111111 0.1473 57 H -3.2464 -4.5260 -0.4591 H 1 UNL1111111111 0.1344 58 H -6.4412 2.2755 1.9897 H 1 UNL1111111111 0.1528 59 H -6.9370 0.5688 2.2691 H 1 UNL1111111111 0.1331 60 H -7.1497 1.3202 0.6388 H 1 UNL1111111111 0.1353 @BOND 1 1 13 1 2 1 44 1 3 2 22 1 4 2 28 1 5 3 24 1 6 3 29 1 7 4 25 1 8 4 30 1 9 5 24 2 10 6 8 1 11 6 12 1 12 6 15 1 13 7 14 2 14 7 20 1 15 8 11 1 16 8 14 1 17 8 31 1 18 9 10 1 19 9 12 1 20 9 17 1 21 9 32 1 22 10 11 1 23 10 19 1 24 10 33 1 25 11 34 1 26 11 35 1 27 12 36 1 28 12 37 1 29 13 14 1 30 13 16 1 31 13 18 1 32 15 16 1 33 15 38 1 34 15 39 1 35 16 40 1 36 16 41 1 37 17 21 1 38 17 42 1 39 17 43 1 40 18 20 ar 41 18 22 ar 42 19 24 1 43 19 25 2 44 20 23 ar 45 21 45 1 46 21 46 1 47 21 47 1 48 22 26 ar 49 23 27 ar 50 23 48 1 51 25 49 1 52 26 27 ar 53 26 50 1 54 27 51 1 55 28 52 1 56 28 53 1 57 28 54 1 58 29 55 1 59 29 56 1 60 29 57 1 61 30 58 1 62 30 59 1 63 30 60 1