@MOLECULE methyl N-[(E,5R)-5-[(5E)-5-[(2E,4E)-1-hydroxy-2,5-dimethyl-octa-2,4-dienylidene]-4,6-dioxo-pyran-2-yl]hex-1-enyl]carbamate 61 61 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0245 -1.4839 -1.2548 O.3 1 UNL111111111 -0.3942 2 O 1.2472 2.3716 -1.3058 O.2 1 UNL111111111 -0.5603 3 O -1.0716 3.1691 -1.0203 O.2 1 UNL111111111 -0.4642 4 O -2.0531 -0.9717 -0.9430 O.2 1 UNL111111111 -0.4628 5 O 7.2097 0.9426 1.2813 O.3 1 UNL111111111 -0.4212 6 O 5.1084 1.7296 1.7140 O.2 1 UNL111111111 -0.5117 7 N 5.4919 -0.4823 1.1363 N.am 1 UNL111111111 -0.5512 8 C 2.1521 -2.4285 -1.4667 C.3 1 UNL111111111 -0.1209 9 C 1.9266 -3.2957 -0.2145 C.3 1 UNL111111111 -0.2673 10 C 1.3277 -1.1766 -1.3697 C.2 1 UNL111111111 0.3782 11 C 2.3374 -2.5628 1.0727 C.3 1 UNL111111111 -0.2538 12 C 1.7642 -3.1905 -2.7357 C.3 1 UNL111111111 -0.4477 13 C 1.7855 0.0938 -1.3804 C.2 1 UNL111111111 -0.5025 14 C 3.7688 -2.1452 1.0263 C.2 1 UNL111111111 -0.2756 15 C -0.5489 0.8817 -1.0888 C.2 1 UNL111111111 -0.6111 16 C 0.8608 1.1929 -1.2618 C.2 1 UNL111111111 0.5842 17 C -0.9613 -0.4888 -1.0845 C.2 1 UNL111111111 0.6576 18 C -1.4704 1.9266 -0.9714 C.2 1 UNL111111111 0.5409 19 C -6.9516 -0.3591 0.8787 C.3 1 UNL111111111 -0.3047 20 C -2.9248 1.8064 -0.8151 C.2 1 UNL111111111 -0.1332 21 C -5.4688 -0.2652 0.6756 C.2 1 UNL111111111 0.1075 22 C 4.1374 -0.8661 1.2053 C.2 1 UNL111111111 0.0614 23 C -7.2693 -0.4181 2.3821 C.3 1 UNL111111111 -0.2369 24 C -3.4568 1.0502 0.1619 C.2 1 UNL111111111 -0.0209 25 C -4.8868 0.9090 0.3735 C.2 1 UNL111111111 -0.2851 26 C -3.7285 2.5817 -1.8008 C.3 1 UNL111111111 -0.4153 27 C -4.7009 -1.5330 0.8088 C.3 1 UNL111111111 -0.4731 28 C -8.7734 -0.5456 2.6153 C.3 1 UNL111111111 -0.4423 29 C 5.8510 0.8281 1.4113 C.2 1 UNL111111111 0.7075 30 C 7.7059 2.2596 1.5161 C.3 1 UNL111111111 -0.1528 31 H 3.2370 -2.1478 -1.5206 H 1 UNL111111111 0.1668 32 H 0.8597 -3.5919 -0.1492 H 1 UNL111111111 0.1564 33 H 2.4969 -4.2377 -0.3132 H 1 UNL111111111 0.1419 34 H 2.1732 -3.2318 1.9452 H 1 UNL111111111 0.1480 35 H 1.6628 -1.6982 1.2433 H 1 UNL111111111 0.1507 36 H 2.3559 -4.1056 -2.8473 H 1 UNL111111111 0.1493 37 H 1.9228 -2.5826 -3.6348 H 1 UNL111111111 0.1534 38 H 0.7043 -3.4817 -2.7218 H 1 UNL111111111 0.1644 39 H 2.8400 0.3396 -1.4739 H 1 UNL111111111 0.2060 40 H 4.4800 -2.9423 0.8387 H 1 UNL111111111 0.1521 41 H -7.4782 0.5002 0.4181 H 1 UNL111111111 0.1476 42 H -7.3573 -1.2553 0.3673 H 1 UNL111111111 0.1520 43 H -6.7377 -1.2697 2.8478 H 1 UNL111111111 0.1381 44 H -6.8807 0.4900 2.8823 H 1 UNL111111111 0.1395 45 H 3.4350 -0.0437 1.4039 H 1 UNL111111111 0.1891 46 H -2.8187 0.4901 0.8557 H 1 UNL111111111 0.1601 47 H -5.4766 1.8190 0.2579 H 1 UNL111111111 0.1619 48 H -4.4779 3.2149 -1.3020 H 1 UNL111111111 0.1577 49 H -3.1179 3.2504 -2.4246 H 1 UNL111111111 0.1612 50 H -4.2737 1.9056 -2.4788 H 1 UNL111111111 0.1620 51 H -3.9273 -1.4614 1.5881 H 1 UNL111111111 0.1638 52 H -4.1631 -1.7710 -0.1288 H 1 UNL111111111 0.1903 53 H -5.3281 -2.3988 1.0493 H 1 UNL111111111 0.1511 54 H -9.3203 0.3025 2.1880 H 1 UNL111111111 0.1438 55 H -9.0069 -0.5800 3.6856 H 1 UNL111111111 0.1426 56 H -9.1750 -1.4591 2.1626 H 1 UNL111111111 0.1431 57 H 6.2001 -1.1702 0.9204 H 1 UNL111111111 0.3230 58 H 0.0219 3.2230 -1.1453 H 1 UNL111111111 0.4195 59 H 8.7821 2.1403 1.3446 H 1 UNL111111111 0.1470 60 H 7.4940 2.5651 2.5467 H 1 UNL111111111 0.1431 61 H 7.2605 2.9660 0.8060 H 1 UNL111111111 0.1462 @BOND 1 1 10 1 2 1 17 1 3 2 16 2 4 3 18 1 5 3 58 1 6 4 17 2 7 5 29 1 8 5 30 1 9 6 29 2 10 7 22 1 11 7 29 am 12 7 57 1 13 8 9 1 14 8 10 1 15 8 12 1 16 8 31 1 17 9 11 1 18 9 32 1 19 9 33 1 20 10 13 2 21 11 14 1 22 11 34 1 23 11 35 1 24 12 36 1 25 12 37 1 26 12 38 1 27 13 16 1 28 13 39 1 29 14 22 2 30 14 40 1 31 15 16 1 32 15 17 1 33 15 18 2 34 18 20 1 35 19 21 1 36 19 23 1 37 19 41 1 38 19 42 1 39 20 24 2 40 20 26 1 41 21 25 2 42 21 27 1 43 22 45 1 44 23 28 1 45 23 43 1 46 23 44 1 47 24 25 1 48 24 46 1 49 25 47 1 50 26 48 1 51 26 49 1 52 26 50 1 53 27 51 1 54 27 52 1 55 27 53 1 56 28 54 1 57 28 55 1 58 28 56 1 59 30 59 1 60 30 60 1 61 30 61 1