@MOLECULE (5s,8s,9r)-8-benzoyl-9-hydroxy-2-[(1s,2s,3z)-1-hydroxy-2-methoxy-3-hexen-1-yl]-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6929 -0.5156 0.6150 O.2 1 UNL111111 -0.2598 2 O 3.4510 -1.9106 -0.7029 O.3 1 UNL111111 -0.3819 3 O 1.5795 -3.1679 0.6576 O.3 1 UNL111111 -0.4980 4 O -0.2612 -0.4454 -2.3757 O.2 1 UNL111111 -0.4499 5 O -0.6474 -3.6604 -0.9743 O.2 1 UNL111111 -0.4061 6 O 3.6145 -0.1721 1.6814 O.2 1 UNL111111 -0.3941 7 O -2.5752 0.0132 2.8121 O.3 1 UNL111111 -0.5108 8 O -1.5037 1.8851 1.2881 O.3 1 UNL111111 -0.3856 9 N 1.8145 -0.5464 -1.4165 N.am 1 UNL111111 -0.6094 10 C 0.0406 -1.4725 -0.1624 C.3 1 UNL111111 -0.0934 11 C 1.3372 -1.8057 0.5980 C.3 1 UNL111111 0.1003 12 C 2.4628 -1.0470 -0.2118 C.3 1 UNL111111 0.2678 13 C 0.4495 -0.7756 -1.4651 C.2 1 UNL111111 0.5711 14 C -0.9335 -2.6466 -0.4105 C.2 1 UNL111111 0.4899 15 C -1.9860 -0.9705 0.7337 C.2 1 UNL111111 0.2062 16 C -2.2010 -2.1891 0.1823 C.2 1 UNL111111 -0.2455 17 C 3.0667 0.0977 0.6450 C.2 1 UNL111111 0.3984 18 C -2.8818 -0.0099 1.4434 C.3 1 UNL111111 0.1034 19 C -3.4374 -2.9783 0.1226 C.3 1 UNL111111 -0.4025 20 C -2.7770 1.4246 0.8463 C.3 1 UNL111111 0.0588 21 C 2.9259 1.4811 0.1432 C.ar 1 UNL111111 -0.1383 22 C 4.3447 -2.4497 0.2609 C.3 1 UNL111111 -0.1820 23 C -2.8000 1.3847 -0.6467 C.2 1 UNL111111 -0.2407 24 C 4.0733 2.1779 -0.2343 C.ar 1 UNL111111 -0.1097 25 C 1.6679 2.0762 0.0513 C.ar 1 UNL111111 -0.1019 26 C 3.9571 3.4733 -0.7334 C.ar 1 UNL111111 -0.1602 27 C 1.5588 3.3705 -0.4520 C.ar 1 UNL111111 -0.1561 28 C -3.8894 1.2354 -1.3973 C.2 1 UNL111111 -0.1150 29 C 2.7004 4.0664 -0.8468 C.ar 1 UNL111111 -0.1216 30 C -1.4529 3.2827 1.5076 C.3 1 UNL111111 -0.1970 31 C -5.2847 1.0891 -0.8750 C.3 1 UNL111111 -0.5376 32 C -6.2939 1.5343 -1.8283 C.3 1 UNL111111 0.1474 33 H 1.3003 -1.4977 1.6685 H 1 UNL111111 0.1863 34 H 2.3540 -0.1776 -2.1799 H 1 UNL111111 0.3429 35 H -3.9407 -0.3678 1.4212 H 1 UNL111111 0.1591 36 H 1.5866 -3.5769 -0.2466 H 1 UNL111111 0.3453 37 H -3.2483 -3.9982 -0.2583 H 1 UNL111111 0.1756 38 H -3.9079 -3.0912 1.1117 H 1 UNL111111 0.1575 39 H -4.1798 -2.5254 -0.5520 H 1 UNL111111 0.1494 40 H -3.5833 2.0617 1.2739 H 1 UNL111111 0.1324 41 H 5.1280 -1.7179 0.4827 H 1 UNL111111 0.1316 42 H 3.8354 -2.7627 1.1798 H 1 UNL111111 0.1575 43 H 4.7580 -3.3196 -0.2654 H 1 UNL111111 0.1453 44 H -1.7097 0.4773 2.9496 H 1 UNL111111 0.3404 45 H -1.8065 1.4610 -1.1041 H 1 UNL111111 0.1905 46 H 5.0540 1.7129 -0.1392 H 1 UNL111111 0.1576 47 H 0.7693 1.5354 0.3623 H 1 UNL111111 0.1777 48 H 4.8479 4.0213 -1.0350 H 1 UNL111111 0.1528 49 H 0.5780 3.8329 -0.5471 H 1 UNL111111 0.1531 50 H -3.8137 1.1957 -2.4917 H 1 UNL111111 0.1643 51 H 2.6108 5.0759 -1.2450 H 1 UNL111111 0.1484 52 H -2.1087 3.5722 2.3347 H 1 UNL111111 0.1256 53 H -0.4008 3.4491 1.7787 H 1 UNL111111 0.1528 54 H -1.7059 3.8339 0.5968 H 1 UNL111111 0.1268 55 H -5.4816 0.0174 -0.6194 H 1 UNL111111 0.1977 56 H -5.4263 1.6297 0.0911 H 1 UNL111111 0.1832 @BOND 1 51 29 1 2 48 26 1 3 29 26 ar 4 29 27 ar 5 26 24 ar 6 49 27 1 7 27 25 ar 8 54 30 1 9 24 46 1 10 24 21 ar 11 53 30 1 12 25 21 ar 13 25 47 1 14 30 52 1 15 30 8 1 16 21 17 1 17 50 28 1 18 45 23 1 19 32 31 1 20 34 9 1 21 28 23 2 22 28 31 1 23 23 20 1 24 8 20 1 25 40 20 1 26 4 13 2 27 56 31 1 28 31 55 1 29 20 18 1 30 9 13 am 31 9 12 1 32 17 6 2 33 17 12 1 34 13 10 1 35 12 2 1 36 12 11 1 37 1 10 1 38 1 15 1 39 2 22 1 40 41 22 1 41 18 15 1 42 18 35 1 43 18 7 1 44 44 7 1 45 10 11 1 46 10 14 1 47 15 16 2 48 22 43 1 49 22 42 1 50 11 33 1 51 11 3 1 52 14 16 1 53 14 5 2 54 16 19 1 55 39 19 1 56 36 3 1 57 19 38 1 58 19 37 1