@MOLECULE methyl (2alpha,19e)-10-hydroxy-1-methyl-1,2-dihydro-2,17-epoxyakuammilan-16-carboxylate 54 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4109 1.0700 -1.9209 O.3 1 UNL1111111111 -0.4606 2 O 1.4680 -2.5508 -1.3919 O.3 1 UNL1111111111 -0.4150 3 O 0.8968 -2.4481 0.7792 O.2 1 UNL1111111111 -0.4833 4 O -4.0133 -2.8023 0.9863 O.3 1 UNL1111111111 -0.4722 5 N 1.4114 2.5517 0.9837 N.3 1 UNL1111111111 -0.4184 6 N -1.6993 2.0562 -0.2680 N.pl3 1 UNL1111111111 -0.3977 7 C -0.1867 0.2437 0.3157 C.3 1 UNL1111111111 -0.0024 8 C -0.3506 1.5569 -0.5645 C.3 1 UNL1111111111 0.3311 9 C 0.8337 -0.4525 -0.6168 C.3 1 UNL1111111111 -0.1085 10 C 0.9121 2.4428 -0.4194 C.3 1 UNL1111111111 0.0314 11 C 2.1949 0.3243 -0.7167 C.3 1 UNL1111111111 -0.0941 12 C 1.9691 1.7418 -1.3075 C.3 1 UNL1111111111 -0.3082 13 C 0.2163 0.4926 1.7651 C.3 1 UNL1111111111 -0.3150 14 C 0.1091 -0.2595 -1.9788 C.3 1 UNL1111111111 -0.0245 15 C -1.6185 -0.2323 0.3219 C.ar 1 UNL1111111111 -0.0530 16 C 0.4570 1.9983 1.9653 C.3 1 UNL1111111111 -0.1134 17 C 2.9030 0.5308 0.5906 C.2 1 UNL1111111111 -0.0765 18 C 2.7410 1.9196 1.1756 C.3 1 UNL1111111111 -0.1151 19 C -2.4645 0.8690 -0.0145 C.ar 1 UNL1111111111 0.1193 20 C 1.0528 -1.8921 -0.2744 C.2 1 UNL1111111111 0.5945 21 C -2.2513 3.0022 -1.2460 C.3 1 UNL1111111111 -0.2478 22 C -2.1435 -1.4527 0.6655 C.ar 1 UNL1111111111 -0.1976 23 C -3.8425 0.7373 0.0015 C.ar 1 UNL1111111111 -0.1632 24 C 3.7012 -0.3617 1.1877 C.2 1 UNL1111111111 -0.1585 25 C -3.5473 -1.5648 0.6583 C.ar 1 UNL1111111111 0.2491 26 C -4.3915 -0.5060 0.3449 C.ar 1 UNL1111111111 -0.2709 27 C 3.9950 -1.7298 0.6892 C.3 1 UNL1111111111 -0.4528 28 C 1.6658 -3.9530 -1.2496 C.3 1 UNL1111111111 -0.1662 29 H 0.7115 3.4865 -0.7559 H 1 UNL1111111111 0.1548 30 H 2.8509 -0.2568 -1.4137 H 1 UNL1111111111 0.1567 31 H 2.9146 2.3122 -1.3278 H 1 UNL1111111111 0.1532 32 H 1.6478 1.7124 -2.3635 H 1 UNL1111111111 0.1673 33 H 1.1071 -0.1064 2.0361 H 1 UNL1111111111 0.1729 34 H -0.5694 0.1423 2.4650 H 1 UNL1111111111 0.1646 35 H -0.7463 -0.9437 -2.1099 H 1 UNL1111111111 0.1467 36 H 0.7675 -0.3044 -2.8574 H 1 UNL1111111111 0.1472 37 H -0.5005 2.5643 1.8752 H 1 UNL1111111111 0.1674 38 H 0.8410 2.2050 2.9858 H 1 UNL1111111111 0.1405 39 H 2.9691 1.9230 2.2652 H 1 UNL1111111111 0.1456 40 H 3.4959 2.6029 0.7168 H 1 UNL1111111111 0.1488 41 H -1.5329 3.8250 -1.4011 H 1 UNL1111111111 0.1494 42 H -3.1790 3.4379 -0.8374 H 1 UNL1111111111 0.1486 43 H -2.4685 2.5457 -2.2266 H 1 UNL1111111111 0.1452 44 H -1.5234 -2.3043 0.9460 H 1 UNL1111111111 0.1967 45 H -4.4917 1.5716 -0.2450 H 1 UNL1111111111 0.1591 46 H 4.1976 -0.1197 2.1297 H 1 UNL1111111111 0.1460 47 H -5.4689 -0.6302 0.3606 H 1 UNL1111111111 0.1563 48 H 3.3842 -2.4741 1.2307 H 1 UNL1111111111 0.1736 49 H 5.0478 -2.0010 0.8477 H 1 UNL1111111111 0.1511 50 H 3.7874 -1.8584 -0.3819 H 1 UNL1111111111 0.1539 51 H 1.9882 -4.2601 -2.2505 H 1 UNL1111111111 0.1431 52 H 0.7248 -4.4372 -0.9652 H 1 UNL1111111111 0.1447 53 H 2.4393 -4.1536 -0.5013 H 1 UNL1111111111 0.1349 54 H -4.9980 -2.8379 0.9830 H 1 UNL1111111111 0.3212 @BOND 1 1 8 1 2 1 14 1 3 2 20 1 4 2 28 1 5 3 20 2 6 4 25 1 7 4 54 1 8 5 10 1 9 5 16 1 10 5 18 1 11 6 8 1 12 6 19 1 13 6 21 1 14 7 8 1 15 7 9 1 16 7 13 1 17 7 15 1 18 8 10 1 19 9 11 1 20 9 14 1 21 9 20 1 22 10 12 1 23 10 29 1 24 11 12 1 25 11 17 1 26 11 30 1 27 12 31 1 28 12 32 1 29 13 16 1 30 13 33 1 31 13 34 1 32 14 35 1 33 14 36 1 34 15 19 ar 35 15 22 ar 36 16 37 1 37 16 38 1 38 17 18 1 39 17 24 2 40 18 39 1 41 18 40 1 42 19 23 ar 43 21 41 1 44 21 42 1 45 21 43 1 46 22 25 ar 47 22 44 1 48 23 26 ar 49 23 45 1 50 24 27 1 51 24 46 1 52 25 26 ar 53 26 47 1 54 27 48 1 55 27 49 1 56 27 50 1 57 28 51 1 58 28 52 1 59 28 53 1