@MOLECULE (3e)-5,8-anhydro-1-o-(3-chlorophenyl)-3,4,6-trideoxy-6-[(3z)-8-oxo-8-(propan-2-yloxy)oct-3-en-1-yl]-l-altro-oct-3-enitol 66 67 0 0 0 SMALL GASTEIGER @ATOM 1 CL -4.2448 -0.4588 0.5051 Cl 1 UNL111111 -0.0423 2 O 4.9458 -0.1374 -0.9873 O.3 1 UNL111111 -0.4072 3 O 4.7062 2.6160 0.7759 O.3 1 UNL111111 -0.5486 4 O 2.0538 -4.7353 -1.0047 O.3 1 UNL111111 -0.5491 5 O 0.1937 -2.9988 0.7161 O.3 1 UNL111111 -0.3255 6 O -2.8173 1.5830 -2.2636 O.3 1 UNL111111 -0.4593 7 O -0.7685 2.1703 -1.5612 O.2 1 UNL111111 -0.5360 8 C 3.0277 1.0248 -0.1008 C.3 1 UNL111111 -0.2144 9 C 4.1497 2.0519 -0.3813 C.3 1 UNL111111 0.1236 10 C 3.7381 -0.3386 -0.2537 C.3 1 UNL111111 0.0885 11 C 2.3647 1.1573 1.2681 C.3 1 UNL111111 -0.2536 12 C 5.2057 1.2490 -1.1585 C.3 1 UNL111111 -0.1064 13 C 1.5512 2.4569 1.3783 C.3 1 UNL111111 -0.2850 14 C 2.9158 -1.3209 -1.0316 C.2 1 UNL111111 -0.1502 15 C 2.4398 -2.4254 -0.4572 C.2 1 UNL111111 -0.2156 16 C 0.7652 2.4302 2.6482 C.2 1 UNL111111 -0.1556 17 C 1.5802 -3.4185 -1.1721 C.3 1 UNL111111 0.1457 18 C -0.5452 2.1799 2.7306 C.2 1 UNL111111 -0.1685 19 C -1.4346 1.8889 1.5643 C.3 1 UNL111111 -0.2846 20 C 0.1193 -3.3386 -0.6710 C.3 1 UNL111111 -0.1002 21 C -1.8891 3.1898 0.8824 C.3 1 UNL111111 -0.2368 22 C -2.7587 2.8920 -0.3429 C.3 1 UNL111111 -0.3554 23 C -1.9646 2.2008 -1.4121 C.2 1 UNL111111 0.6276 24 C -0.8762 -2.3896 1.2861 C.ar 1 UNL111111 0.2409 25 C -2.2560 0.7869 -3.3219 C.3 1 UNL111111 0.1905 26 C -1.9896 -1.9074 0.5885 C.ar 1 UNL111111 -0.2951 27 C -0.7433 -2.2505 2.6863 C.ar 1 UNL111111 -0.2175 28 C -1.8066 -0.5413 -2.7211 C.3 1 UNL111111 -0.4937 29 C -3.4239 0.6187 -4.2881 C.3 1 UNL111111 -0.4817 30 C -2.9480 -1.1926 1.3116 C.ar 1 UNL111111 0.0118 31 C -1.7265 -1.5680 3.4070 C.ar 1 UNL111111 -0.1121 32 C -2.7529 -1.0862 2.6493 C.ar 1 UNL111111 -0.0461 33 H 2.2457 1.1441 -0.8918 H 1 UNL111111 0.1698 34 H 3.7871 2.9493 -0.9243 H 1 UNL111111 0.1510 35 H 4.0734 -0.7415 0.7286 H 1 UNL111111 0.1330 36 H 1.6868 0.2919 1.4282 H 1 UNL111111 0.1480 37 H 3.1098 1.1156 2.0846 H 1 UNL111111 0.1353 38 H 5.1760 1.4334 -2.2436 H 1 UNL111111 0.1355 39 H 6.2285 1.4103 -0.7811 H 1 UNL111111 0.1478 40 H 0.8961 2.5809 0.4887 H 1 UNL111111 0.1655 41 H 2.2386 3.3289 1.3618 H 1 UNL111111 0.1581 42 H 2.7520 -1.0639 -2.0752 H 1 UNL111111 0.1603 43 H 4.9500 1.9368 1.4330 H 1 UNL111111 0.3183 44 H 1.3561 2.6220 3.5441 H 1 UNL111111 0.1376 45 H 2.6344 -2.6677 0.5885 H 1 UNL111111 0.1611 46 H 1.5981 -3.3028 -2.2851 H 1 UNL111111 0.1521 47 H -1.0517 2.1731 3.6939 H 1 UNL111111 0.1376 48 H -0.9048 1.2434 0.8307 H 1 UNL111111 0.1586 49 H -2.3208 1.3097 1.8902 H 1 UNL111111 0.1446 50 H -0.3755 -4.3239 -0.7377 H 1 UNL111111 0.1527 51 H -0.4409 -2.5849 -1.2495 H 1 UNL111111 0.1359 52 H -1.0006 3.7836 0.5839 H 1 UNL111111 0.1571 53 H -2.4522 3.8168 1.6018 H 1 UNL111111 0.1435 54 H 2.4775 -4.8622 -0.1326 H 1 UNL111111 0.3239 55 H -3.6414 2.2775 -0.0584 H 1 UNL111111 0.1851 56 H -3.1874 3.8303 -0.7557 H 1 UNL111111 0.1743 57 H -1.4073 1.3459 -3.7754 H 1 UNL111111 0.1343 58 H -2.1141 -2.0702 -0.4772 H 1 UNL111111 0.1820 59 H 0.1274 -2.6703 3.1841 H 1 UNL111111 0.1791 60 H -2.6355 -1.0202 -2.1852 H 1 UNL111111 0.1581 61 H -1.4566 -1.2321 -3.4936 H 1 UNL111111 0.1523 62 H -0.9836 -0.3815 -2.0105 H 1 UNL111111 0.1661 63 H -3.1496 -0.0090 -5.1399 H 1 UNL111111 0.1523 64 H -3.7604 1.5876 -4.6784 H 1 UNL111111 0.1577 65 H -4.2882 0.1630 -3.7859 H 1 UNL111111 0.1655 66 H -1.6697 -1.4301 4.4827 H 1 UNL111111 0.1781 @BOND 1 63 29 1 2 54 4 1 3 46 17 1 4 61 28 1 5 4 17 1 6 50 20 1 7 65 29 1 8 29 64 1 9 29 25 1 10 17 20 1 11 17 15 1 12 60 28 1 13 20 51 1 14 20 5 1 15 28 25 1 16 28 62 1 17 58 26 1 18 25 57 1 19 25 6 1 20 42 14 1 21 15 14 2 22 15 45 1 23 5 24 1 24 14 10 1 25 26 24 ar 26 26 30 ar 27 24 27 ar 28 6 23 1 29 1 30 1 30 2 10 1 31 2 12 1 32 38 12 1 33 30 32 ar 34 10 35 1 35 10 8 1 36 7 23 2 37 23 22 1 38 12 39 1 39 12 9 1 40 33 8 1 41 27 59 1 42 27 31 ar 43 8 9 1 44 8 11 1 45 32 31 ar 46 36 11 1 47 55 22 1 48 31 66 1 49 48 19 1 50 9 34 1 51 9 3 1 52 22 56 1 53 22 21 1 54 11 37 1 55 11 13 1 56 49 19 1 57 40 13 1 58 19 21 1 59 19 18 1 60 3 43 1 61 21 52 1 62 21 53 1 63 13 41 1 64 13 16 1 65 18 16 2 66 18 47 1 67 16 44 1