@MOLECULE methyl (15alpha,16r,19z)-17-hydroxysarpagan-16-carboxylate 50 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8467 2.8000 -0.1481 O.3 1 UNL111111111 -0.5436 2 O 0.2135 1.3364 -1.3734 O.3 1 UNL111111111 -0.3839 3 O 0.0499 2.7189 0.3768 O.2 1 UNL111111111 -0.5491 4 N -1.2143 -1.5429 1.0184 N.3 1 UNL111111111 -0.3968 5 N 2.0152 -1.8156 -0.8621 N.ar 1 UNL111111111 -0.3894 6 C -1.4666 0.8460 0.2653 C.3 1 UNL111111111 -0.1400 7 C -1.0130 -0.1227 1.4216 C.3 1 UNL111111111 0.0529 8 C -2.0953 -0.0088 -0.8662 C.3 1 UNL111111111 -0.0909 9 C -0.4749 -1.8310 -0.2506 C.3 1 UNL111111111 0.0440 10 C -1.1006 -1.0424 -1.4378 C.3 1 UNL111111111 -0.3245 11 C 0.4528 0.0788 1.8766 C.3 1 UNL111111111 -0.2755 12 C -2.6673 -1.7723 0.7871 C.3 1 UNL111111111 -0.1257 13 C -3.2082 -0.8287 -0.2564 C.2 1 UNL111111111 -0.0824 14 C 0.9430 -1.4081 -0.0657 C.ar 1 UNL111111111 0.0718 15 C 1.3742 -0.4851 0.8749 C.ar 1 UNL111111111 -0.1117 16 C -2.5295 1.8309 0.8220 C.3 1 UNL111111111 -0.0069 17 C -0.3283 1.7253 -0.2015 C.2 1 UNL111111111 0.6116 18 C 2.7740 -0.2731 0.6608 C.ar 1 UNL111111111 -0.0751 19 C -4.4862 -0.7253 -0.6252 C.2 1 UNL111111111 -0.1551 20 C 3.1489 -1.1197 -0.4364 C.ar 1 UNL111111111 0.1076 21 C 3.7404 0.5430 1.2550 C.ar 1 UNL111111111 -0.1027 22 C -5.5977 -1.5330 -0.0558 C.3 1 UNL111111111 -0.4449 23 C 4.4601 -1.1551 -0.9275 C.ar 1 UNL111111111 -0.2155 24 C 5.0324 0.5076 0.7629 C.ar 1 UNL111111111 -0.1961 25 C 1.3698 2.0609 -1.7943 C.3 1 UNL111111111 -0.1802 26 C 5.3871 -0.3326 -0.3141 C.ar 1 UNL111111111 -0.1183 27 H -1.6697 0.0538 2.3142 H 1 UNL111111111 0.1455 28 H -2.4594 0.6671 -1.6728 H 1 UNL111111111 0.1673 29 H -0.5459 -2.9340 -0.4259 H 1 UNL111111111 0.1519 30 H -0.3244 -0.5569 -2.0547 H 1 UNL111111111 0.1724 31 H -1.6317 -1.7284 -2.1199 H 1 UNL111111111 0.1472 32 H 0.5999 -0.4465 2.8491 H 1 UNL111111111 0.1709 33 H 0.6593 1.1496 2.0822 H 1 UNL111111111 0.1722 34 H -3.1938 -1.6540 1.7594 H 1 UNL111111111 0.1527 35 H -2.8130 -2.8321 0.4826 H 1 UNL111111111 0.1529 36 H -2.1734 2.3234 1.7455 H 1 UNL111111111 0.1331 37 H -3.4972 1.3272 1.0074 H 1 UNL111111111 0.1534 38 H 1.9729 -2.4563 -1.6164 H 1 UNL111111111 0.3140 39 H -4.7943 -0.0080 -1.3889 H 1 UNL111111111 0.1557 40 H -2.1352 3.4776 -0.2009 H 1 UNL111111111 0.3278 41 H 3.4658 1.1912 2.0839 H 1 UNL111111111 0.1557 42 H -6.3108 -0.8913 0.4847 H 1 UNL111111111 0.1577 43 H -5.2628 -2.3067 0.6456 H 1 UNL111111111 0.1469 44 H -6.1638 -2.0427 -0.8500 H 1 UNL111111111 0.1551 45 H 4.7311 -1.8020 -1.7531 H 1 UNL111111111 0.1532 46 H 5.8000 1.1367 1.2078 H 1 UNL111111111 0.1488 47 H 2.2014 1.8425 -1.1118 H 1 UNL111111111 0.1512 48 H 1.1679 3.1362 -1.8228 H 1 UNL111111111 0.1457 49 H 1.5608 1.6567 -2.7939 H 1 UNL111111111 0.1450 50 H 6.4180 -0.3271 -0.6632 H 1 UNL111111111 0.1445 @BOND 1 1 16 1 2 1 40 1 3 2 17 1 4 2 25 1 5 3 17 2 6 4 7 1 7 4 9 1 8 4 12 1 9 5 14 ar 10 5 20 ar 11 5 38 1 12 6 7 1 13 6 8 1 14 6 16 1 15 6 17 1 16 7 11 1 17 7 27 1 18 8 10 1 19 8 13 1 20 8 28 1 21 9 10 1 22 9 14 1 23 9 29 1 24 10 30 1 25 10 31 1 26 11 15 1 27 11 32 1 28 11 33 1 29 12 13 1 30 12 34 1 31 12 35 1 32 13 19 2 33 14 15 ar 34 15 18 ar 35 16 36 1 36 16 37 1 37 18 20 ar 38 18 21 ar 39 19 22 1 40 19 39 1 41 20 23 ar 42 21 24 ar 43 21 41 1 44 22 42 1 45 22 43 1 46 22 44 1 47 23 26 ar 48 23 45 1 49 24 26 ar 50 24 46 1 51 25 47 1 52 25 48 1 53 25 49 1 54 26 50 1