@MOLECULE methyl N-[(E,5R)-5-[(5E)-5-[(2E,4E)-1-hydroxy-2,5-dimethyl-nona-2,4-dienylidene]-4,6-dioxo-pyran-2-yl]hex-1-enyl]carbamate 64 64 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3037 -1.5680 -0.6198 O.3 1 UNL111111111 -0.3937 2 O 1.5430 2.2162 -1.3414 O.2 1 UNL111111111 -0.5589 3 O -0.7041 3.1052 -0.8497 O.2 1 UNL111111111 -0.4663 4 O -1.7370 -0.9736 -0.2142 O.2 1 UNL111111111 -0.4614 5 O 7.7464 0.9295 0.6206 O.3 1 UNL111111111 -0.4214 6 O 5.7021 1.8395 1.0848 O.2 1 UNL111111111 -0.5108 7 N 6.0152 -0.4516 0.9333 N.am 1 UNL111111111 -0.5516 8 C 2.3839 -2.5821 -0.9583 C.3 1 UNL111111111 -0.1215 9 C 2.2872 -3.2860 0.4074 C.3 1 UNL111111111 -0.2664 10 C 1.5832 -1.3111 -0.9375 C.2 1 UNL111111111 0.3786 11 C 2.8420 -2.4097 1.5417 C.3 1 UNL111111111 -0.2529 12 C 1.8575 -3.4854 -2.0759 C.3 1 UNL111111111 -0.4482 13 C 2.0425 -0.0668 -1.1931 C.2 1 UNL111111111 -0.5037 14 C -7.2637 -0.3244 1.0627 C.3 1 UNL111111111 -0.2588 15 C -7.0184 -0.0996 -0.4381 C.3 1 UNL111111111 -0.3084 16 C 4.2697 -2.0548 1.2966 C.2 1 UNL111111111 -0.2750 17 C -0.2391 0.8071 -0.7623 C.2 1 UNL111111111 -0.6120 18 C 1.1477 1.0603 -1.1181 C.2 1 UNL111111111 0.5840 19 C -8.7479 -0.1506 1.4062 C.3 1 UNL111111111 -0.2517 20 C -5.5438 -0.1280 -0.7123 C.2 1 UNL111111111 0.1073 21 C -0.6568 -0.5386 -0.5113 C.2 1 UNL111111111 0.6576 22 C -1.1222 1.8854 -0.6496 C.2 1 UNL111111111 0.5406 23 C -2.5480 1.8334 -0.2960 C.2 1 UNL111111111 -0.1280 24 C -4.8329 1.0125 -0.7401 C.2 1 UNL111111111 -0.2836 25 C -3.4021 1.0578 -0.9860 C.2 1 UNL111111111 -0.0262 26 C -8.9905 -0.3934 2.8959 C.3 1 UNL111111111 -0.4394 27 C -4.9340 -1.4693 -0.9186 C.3 1 UNL111111111 -0.4750 28 C 4.6695 -0.7767 1.1975 C.2 1 UNL111111111 0.0602 29 C -2.9175 2.7164 0.8445 C.3 1 UNL111111111 -0.4191 30 C 6.4071 0.8776 0.9023 C.2 1 UNL111111111 0.7070 31 C 8.2713 2.2540 0.5414 C.3 1 UNL111111111 -0.1529 32 H 3.4593 -2.3326 -1.1595 H 1 UNL111111111 0.1674 33 H 1.2317 -3.5489 0.6222 H 1 UNL111111111 0.1567 34 H 2.8364 -4.2449 0.3666 H 1 UNL111111111 0.1420 35 H 2.7493 -2.9527 2.5069 H 1 UNL111111111 0.1487 36 H 2.2088 -1.5054 1.6606 H 1 UNL111111111 0.1512 37 H 2.4296 -4.4177 -2.1364 H 1 UNL111111111 0.1496 38 H 1.9220 -2.9947 -3.0546 H 1 UNL111111111 0.1525 39 H 0.8044 -3.7536 -1.9130 H 1 UNL111111111 0.1634 40 H 3.0782 0.1380 -1.4517 H 1 UNL111111111 0.2062 41 H -6.9175 -1.3335 1.3556 H 1 UNL111111111 0.1420 42 H -6.6521 0.3842 1.6537 H 1 UNL111111111 0.1436 43 H -7.4643 0.8648 -0.7534 H 1 UNL111111111 0.1480 44 H -7.5452 -0.8726 -1.0316 H 1 UNL111111111 0.1500 45 H 4.9488 -2.8949 1.1997 H 1 UNL111111111 0.1516 46 H -9.0856 0.8661 1.1298 H 1 UNL111111111 0.1340 47 H -9.3616 -0.8475 0.8049 H 1 UNL111111111 0.1333 48 H -5.3122 1.9774 -0.5690 H 1 UNL111111111 0.1622 49 H -3.0459 0.4084 -1.7957 H 1 UNL111111111 0.1606 50 H -8.6997 -1.4082 3.1897 H 1 UNL111111111 0.1435 51 H -8.4167 0.3057 3.5148 H 1 UNL111111111 0.1439 52 H -10.0481 -0.2675 3.1520 H 1 UNL111111111 0.1401 53 H -5.5931 -2.2931 -0.6195 H 1 UNL111111111 0.1529 54 H -3.9985 -1.5852 -0.3400 H 1 UNL111111111 0.1903 55 H -4.6661 -1.6277 -1.9739 H 1 UNL111111111 0.1637 56 H 3.9977 0.0883 1.3004 H 1 UNL111111111 0.1899 57 H -2.5421 2.3096 1.7966 H 1 UNL111111111 0.1601 58 H -2.5017 3.7303 0.7295 H 1 UNL111111111 0.1672 59 H -4.0055 2.8247 0.9568 H 1 UNL111111111 0.1578 60 H 6.6937 -1.1877 0.7949 H 1 UNL111111111 0.3230 61 H 0.3689 3.1121 -1.1120 H 1 UNL111111111 0.4206 62 H 9.3238 2.0769 0.2900 H 1 UNL111111111 0.1468 63 H 8.1682 2.7595 1.5079 H 1 UNL111111111 0.1431 64 H 7.7592 2.8197 -0.2455 H 1 UNL111111111 0.1461 @BOND 1 1 10 1 2 1 21 1 3 2 18 2 4 3 22 1 5 3 61 1 6 4 21 2 7 5 30 1 8 5 31 1 9 6 30 2 10 7 28 1 11 7 30 am 12 7 60 1 13 8 9 1 14 8 10 1 15 8 12 1 16 8 32 1 17 9 11 1 18 9 33 1 19 9 34 1 20 10 13 2 21 11 16 1 22 11 35 1 23 11 36 1 24 12 37 1 25 12 38 1 26 12 39 1 27 13 18 1 28 13 40 1 29 14 15 1 30 14 19 1 31 14 41 1 32 14 42 1 33 15 20 1 34 15 43 1 35 15 44 1 36 16 28 2 37 16 45 1 38 17 18 1 39 17 21 1 40 17 22 2 41 19 26 1 42 19 46 1 43 19 47 1 44 20 24 2 45 20 27 1 46 22 23 1 47 23 25 2 48 23 29 1 49 24 25 1 50 24 48 1 51 25 49 1 52 26 50 1 53 26 51 1 54 26 52 1 55 27 53 1 56 27 54 1 57 27 55 1 58 28 56 1 59 29 57 1 60 29 58 1 61 29 59 1 62 31 62 1 63 31 63 1 64 31 64 1