@MOLECULE o~3~-[2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine 78 82 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7569 1.2107 0.7837 O.3 1 UNL11 -0.4058 2 O 3.1901 2.3107 1.8164 O.2 1 UNL11 -0.2722 3 O -2.2906 -2.9339 -1.0801 O.3 1 UNL11 -0.3563 4 O -2.1493 -1.7661 -3.1236 O.3 1 UNL11 -0.3611 5 O -0.0758 2.1095 2.6860 O.2 1 UNL11 -0.4935 6 O -1.9796 3.4099 1.1948 O.3 1 UNL11 -0.5362 7 O -2.0620 1.7982 -2.2724 O.3 1 UNL11 -0.4113 8 O -1.9531 -2.1671 2.7164 O.3 1 UNL11 -0.5835 9 O -2.2855 4.0345 -2.2773 O.2 1 UNL11 -0.4934 10 N 3.4526 -1.4013 -1.1490 N.3 1 UNL11 -0.4496 11 C 3.3488 -1.0351 0.2749 C.3 1 UNL11 0.2463 12 C 1.8404 -0.9260 0.7417 C.3 1 UNL11 -0.1591 13 C 4.0845 -2.1872 1.0145 C.3 1 UNL11 -0.2969 14 C 1.7271 0.4455 1.4807 C.3 1 UNL11 0.1041 15 C 4.6904 -2.2020 -1.3481 C.3 1 UNL11 -0.1032 16 C 5.2001 -2.6127 0.0499 C.3 1 UNL11 -0.2861 17 C 3.9703 0.2911 0.6624 C.2 1 UNL11 -0.4070 18 C 0.8212 -1.0724 -0.3507 C.ar 1 UNL11 0.0220 19 C 3.3426 -0.2891 -2.1110 C.3 1 UNL11 -0.0856 20 C 3.0905 1.0772 1.2958 C.2 1 UNL11 0.1679 21 C 2.0516 0.5221 -1.8734 C.3 1 UNL11 -0.2902 22 C 0.9056 -0.3923 -1.5718 C.ar 1 UNL11 0.0468 23 C -0.2513 -1.9542 -0.0867 C.ar 1 UNL11 -0.1836 24 C -0.0675 -0.5562 -2.5804 C.ar 1 UNL11 -0.2082 25 C -1.1755 -2.1217 -1.0865 C.ar 1 UNL11 0.1063 26 C -1.0902 -1.4293 -2.3108 C.ar 1 UNL11 0.1295 27 C -0.1412 1.9226 1.5020 C.2 1 UNL11 0.5463 28 C -1.2945 2.3514 0.5761 C.3 1 UNL11 0.2718 29 C 4.4554 2.9453 1.6430 C.3 1 UNL11 -0.2107 30 C -2.2128 1.1385 0.3851 C.3 1 UNL11 -0.3376 31 C -2.9166 -2.7232 -2.3621 C.3 1 UNL11 0.1599 32 C -0.7493 2.9481 -0.7279 C.3 1 UNL11 -0.3794 33 C -2.4646 0.3703 1.6853 C.3 1 UNL11 -0.2601 34 C -3.3784 -0.8307 1.4226 C.3 1 UNL11 -0.3104 35 C -3.3319 -1.8486 2.5763 C.3 1 UNL11 0.3607 36 C -1.7868 3.0474 -1.8094 C.2 1 UNL11 0.6139 37 C -3.8418 -1.2699 3.9000 C.3 1 UNL11 -0.5144 38 C -4.0888 -3.1284 2.1984 C.3 1 UNL11 -0.5196 39 C -3.0193 1.6958 -3.3179 C.3 1 UNL11 -0.1755 40 H 1.6690 -1.7302 1.4999 H 1 UNL11 0.1589 41 H 3.3963 -3.0303 1.2013 H 1 UNL11 0.1534 42 H 4.4731 -1.8619 1.9893 H 1 UNL11 0.1442 43 H 1.4500 0.3392 2.5520 H 1 UNL11 0.1672 44 H 5.4725 -1.6643 -1.9151 H 1 UNL11 0.1136 45 H 4.3951 -3.0903 -1.9470 H 1 UNL11 0.1451 46 H 6.1483 -2.1059 0.2905 H 1 UNL11 0.1350 47 H 5.3982 -3.6936 0.1074 H 1 UNL11 0.1410 48 H 4.9932 0.4837 0.4236 H 1 UNL11 0.1635 49 H 4.2177 0.3951 -2.0865 H 1 UNL11 0.1081 50 H 3.3059 -0.7497 -3.1256 H 1 UNL11 0.1399 51 H 1.8521 1.1465 -2.7664 H 1 UNL11 0.1442 52 H 2.2050 1.2409 -1.0409 H 1 UNL11 0.1690 53 H -0.3537 -2.4663 0.8693 H 1 UNL11 0.1897 54 H -0.0058 -0.0194 -3.5203 H 1 UNL11 0.1722 55 H 4.3002 3.9152 2.1335 H 1 UNL11 0.1559 56 H 4.6795 3.0781 0.5807 H 1 UNL11 0.1345 57 H 5.2450 2.3790 2.1455 H 1 UNL11 0.1348 58 H -1.7634 0.4541 -0.3714 H 1 UNL11 0.1864 59 H -3.1739 1.4771 -0.0513 H 1 UNL11 0.1674 60 H -3.9092 -2.2886 -2.1839 H 1 UNL11 0.1326 61 H -2.8972 -3.6770 -2.9061 H 1 UNL11 0.1358 62 H -0.3494 3.9699 -0.5207 H 1 UNL11 0.2001 63 H 0.1087 2.3370 -1.0993 H 1 UNL11 0.2038 64 H -1.5061 -0.0027 2.1109 H 1 UNL11 0.1702 65 H -2.9063 1.0297 2.4530 H 1 UNL11 0.1337 66 H -2.1770 3.2035 2.1377 H 1 UNL11 0.3365 67 H -4.4181 -0.5033 1.2525 H 1 UNL11 0.1392 68 H -3.0571 -1.3433 0.4909 H 1 UNL11 0.1676 69 H -3.8955 -2.0299 4.6843 H 1 UNL11 0.1444 70 H -4.8404 -0.8370 3.7883 H 1 UNL11 0.1548 71 H -4.0395 -3.8797 2.9908 H 1 UNL11 0.1454 72 H -3.1717 -0.4770 4.2580 H 1 UNL11 0.1659 73 H -5.1439 -2.9259 1.9960 H 1 UNL11 0.1522 74 H -3.6517 -3.5787 1.2955 H 1 UNL11 0.1700 75 H -1.8140 -2.8157 3.4265 H 1 UNL11 0.3128 76 H -3.0085 0.6216 -3.5508 H 1 UNL11 0.1557 77 H -2.7113 2.2935 -4.1816 H 1 UNL11 0.1371 78 H -4.0013 2.0198 -2.9604 H 1 UNL11 0.1339 @BOND 1 1 14 1 2 1 27 1 3 2 20 1 4 2 29 1 5 3 25 1 6 3 31 1 7 4 26 1 8 4 31 1 9 5 27 2 10 6 66 1 11 7 36 1 12 7 39 1 13 8 35 1 14 8 75 1 15 9 36 2 16 10 11 1 17 10 15 1 18 10 19 1 19 11 12 1 20 11 13 1 21 11 17 1 22 12 14 1 23 12 18 1 24 12 40 1 25 13 16 1 26 13 41 1 27 13 42 1 28 14 20 1 29 14 43 1 30 15 16 1 31 15 44 1 32 15 45 1 33 16 46 1 34 16 47 1 35 17 20 2 36 17 48 1 37 18 22 ar 38 18 23 ar 39 19 21 1 40 19 49 1 41 19 50 1 42 21 22 1 43 21 51 1 44 21 52 1 45 22 24 ar 46 23 25 ar 47 23 53 1 48 24 26 ar 49 24 54 1 50 25 26 ar 51 27 28 1 52 28 6 1 53 28 30 1 54 28 32 1 55 29 55 1 56 29 56 1 57 29 57 1 58 30 33 1 59 30 58 1 60 30 59 1 61 31 60 1 62 31 61 1 63 32 36 1 64 32 62 1 65 32 63 1 66 33 34 1 67 33 64 1 68 33 65 1 69 34 35 1 70 34 67 1 71 34 68 1 72 35 37 1 73 35 38 1 74 37 69 1 75 37 70 1 76 37 72 1 77 38 71 1 78 38 73 1 79 38 74 1 80 39 76 1 81 39 77 1 82 39 78 1