@MOLECULE (3s,6s,7r,8r)-8-benzyl-3-{[(3-hydroxy-4-methoxy-2-pyridinyl)carbonyl]amino}-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylpropanoate 67 69 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1436 1.5323 0.2710 O.3 1 UNL1111111111 -0.4471 2 O -0.6153 1.4236 -0.0419 O.3 1 UNL1111111111 -0.4676 3 O -0.6459 -1.1354 0.4882 O.3 1 UNL1111111111 -0.4447 4 O -1.1907 -1.1037 -1.6966 O.2 1 UNL1111111111 -0.4726 5 O 0.6365 1.5580 1.8400 O.2 1 UNL1111111111 -0.4806 6 O -4.7390 2.3480 -1.7417 O.2 1 UNL1111111111 -0.4874 7 O 3.5340 -0.3328 -1.6416 O.2 1 UNL1111111111 -0.4789 8 O 6.1608 -0.4663 -1.9321 O.3 1 UNL1111111111 -0.3579 9 O 8.6083 -0.1797 -0.7760 O.3 1 UNL1111111111 -0.3250 10 N 2.6983 0.2251 0.3870 N.am 1 UNL1111111111 -0.5919 11 N 5.1638 0.4960 1.4047 N.ar 1 UNL1111111111 -0.3581 12 C -2.8906 1.1028 -0.2460 C.3 1 UNL1111111111 0.0873 13 C -2.8164 -0.4186 0.0023 C.3 1 UNL1111111111 -0.2116 14 C -1.8225 1.8774 0.5756 C.3 1 UNL1111111111 0.1339 15 C -3.9617 -1.1601 -0.7002 C.3 1 UNL1111111111 -0.2846 16 C -1.5003 -0.9115 -0.5548 C.2 1 UNL1111111111 0.6128 17 C -1.9227 3.3785 0.3785 C.3 1 UNL1111111111 -0.4830 18 C -4.1384 -2.5337 -0.1291 C.ar 1 UNL1111111111 0.0051 19 C 1.3224 0.1510 -0.0655 C.3 1 UNL1111111111 -0.0121 20 C 0.7330 -1.2674 0.1896 C.3 1 UNL1111111111 -0.0307 21 C 0.4593 1.1323 0.7340 C.2 1 UNL1111111111 0.6028 22 C -4.9978 2.1681 -0.5842 C.2 1 UNL1111111111 0.5964 23 C -6.2475 2.5642 0.1663 C.3 1 UNL1111111111 -0.1341 24 C -3.4519 -3.6204 -0.6697 C.ar 1 UNL1111111111 -0.1687 25 C -4.9992 -2.7290 0.9564 C.ar 1 UNL1111111111 -0.1708 26 C -7.4224 2.4899 -0.8078 C.3 1 UNL1111111111 -0.4455 27 C -6.0586 3.9877 0.6925 C.3 1 UNL1111111111 -0.4441 28 C -3.6323 -4.8955 -0.1394 C.ar 1 UNL1111111111 -0.1375 29 C -5.1803 -4.0072 1.4800 C.ar 1 UNL1111111111 -0.1440 30 C -4.4974 -5.0932 0.9351 C.ar 1 UNL1111111111 -0.1578 31 C 3.7412 -0.0177 -0.4914 C.2 1 UNL1111111111 0.6014 32 C 5.1179 0.1253 0.0997 C.ar 1 UNL1111111111 -0.0125 33 C 6.2829 -0.0996 -0.6438 C.ar 1 UNL1111111111 0.1629 34 C 7.5373 0.0681 0.0177 C.ar 1 UNL1111111111 0.1524 35 C 6.3380 0.6558 2.0065 C.ar 1 UNL1111111111 0.0442 36 C 7.5664 0.4496 1.3458 C.ar 1 UNL1111111111 -0.3010 37 C 9.9000 -0.0232 -0.1928 C.3 1 UNL1111111111 -0.1857 38 H -2.7953 1.3407 -1.3352 H 1 UNL1111111111 0.1827 39 H -2.8684 -0.6141 1.1059 H 1 UNL1111111111 0.1901 40 H -1.8308 1.5976 1.6551 H 1 UNL1111111111 0.1520 41 H -3.7692 -1.2061 -1.7961 H 1 UNL1111111111 0.1771 42 H -4.9027 -0.5810 -0.6029 H 1 UNL1111111111 0.1622 43 H -1.9220 3.6540 -0.6841 H 1 UNL1111111111 0.1687 44 H -2.8376 3.7815 0.8283 H 1 UNL1111111111 0.1563 45 H -1.0666 3.8918 0.8403 H 1 UNL1111111111 0.1691 46 H 1.2576 0.3891 -1.1706 H 1 UNL1111111111 0.2127 47 H 1.1367 -1.7290 1.1098 H 1 UNL1111111111 0.1601 48 H 0.8975 -1.9320 -0.6803 H 1 UNL1111111111 0.1659 49 H -6.4154 1.8654 1.0259 H 1 UNL1111111111 0.1694 50 H -2.7748 -3.4721 -1.5118 H 1 UNL1111111111 0.1652 51 H -5.5321 -1.8866 1.3899 H 1 UNL1111111111 0.1511 52 H 2.8706 0.5013 1.3531 H 1 UNL1111111111 0.3526 53 H -7.2871 3.1770 -1.6572 H 1 UNL1111111111 0.1665 54 H -7.5407 1.4851 -1.2325 H 1 UNL1111111111 0.1554 55 H -8.3617 2.7559 -0.3125 H 1 UNL1111111111 0.1509 56 H -5.8394 4.6962 -0.1172 H 1 UNL1111111111 0.1594 57 H -5.2405 4.0462 1.4213 H 1 UNL1111111111 0.1543 58 H -6.9699 4.3403 1.1919 H 1 UNL1111111111 0.1556 59 H -3.0977 -5.7412 -0.5659 H 1 UNL1111111111 0.1495 60 H -5.8579 -4.1577 2.3164 H 1 UNL1111111111 0.1451 61 H -4.6392 -6.0908 1.3455 H 1 UNL1111111111 0.1477 62 H 6.3101 0.9657 3.0563 H 1 UNL1111111111 0.1789 63 H 8.4957 0.5901 1.8891 H 1 UNL1111111111 0.1753 64 H 7.0556 -0.5709 -2.3634 H 1 UNL1111111111 0.3255 65 H 10.0484 0.9995 0.1714 H 1 UNL1111111111 0.1391 66 H 10.0543 -0.7588 0.6055 H 1 UNL1111111111 0.1388 67 H 10.5669 -0.2339 -1.0418 H 1 UNL1111111111 0.1595 @BOND 1 1 12 1 2 1 22 1 3 2 14 1 4 2 21 1 5 3 16 1 6 3 20 1 7 4 16 2 8 5 21 2 9 6 22 2 10 7 31 2 11 8 33 1 12 8 64 1 13 9 34 1 14 9 37 1 15 10 19 1 16 10 31 am 17 10 52 1 18 11 32 ar 19 11 35 ar 20 12 13 1 21 12 14 1 22 12 38 1 23 13 15 1 24 13 16 1 25 13 39 1 26 14 17 1 27 14 40 1 28 15 18 1 29 15 41 1 30 15 42 1 31 17 43 1 32 17 44 1 33 17 45 1 34 18 24 ar 35 18 25 ar 36 19 20 1 37 19 21 1 38 19 46 1 39 20 47 1 40 20 48 1 41 22 23 1 42 23 26 1 43 23 27 1 44 23 49 1 45 24 28 ar 46 24 50 1 47 25 29 ar 48 25 51 1 49 26 53 1 50 26 54 1 51 26 55 1 52 27 56 1 53 27 57 1 54 27 58 1 55 28 30 ar 56 28 59 1 57 29 30 ar 58 29 60 1 59 30 61 1 60 31 32 1 61 32 33 ar 62 33 34 ar 63 34 36 ar 64 35 36 ar 65 35 62 1 66 36 63 1 67 37 65 1 68 37 66 1 69 37 67 1