@MOLECULE methyl (2e,3e,5e,7e,9e)-2-ethylidene-11-[(1r,4s,5r)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hex-1-yl]-4,6,10-trimethyl-11-oxo-3,5,7,9-undecatetraenoate 60 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.5421 0.2057 1.5971 O.3 1 UNL1111111111 -0.2474 2 O -5.4650 -1.3730 -1.6503 O.3 1 UNL1111111111 -0.5699 3 O -5.6265 2.8113 -0.6440 O.2 1 UNL1111111111 -0.4430 4 O -3.3909 2.0991 2.1168 O.2 1 UNL1111111111 -0.3639 5 O -8.3268 -3.6241 0.1377 O.3 1 UNL1111111111 -0.5394 6 O 8.7529 -1.3237 0.1454 O.3 1 UNL1111111111 -0.4198 7 O 8.4083 0.4004 1.5459 O.2 1 UNL1111111111 -0.4809 8 N -6.3966 0.6876 -1.0364 N.am 1 UNL1111111111 -0.6730 9 C -5.0692 -0.5622 0.4951 C.3 1 UNL1111111111 -0.0332 10 C -4.7489 0.8936 0.6262 C.3 1 UNL1111111111 -0.0744 11 C -6.1361 -0.7007 -0.6206 C.3 1 UNL1111111111 0.4632 12 C -5.6034 1.6389 -0.3903 C.2 1 UNL1111111111 0.5876 13 C -7.4145 -1.4230 -0.2077 C.3 1 UNL1111111111 -0.4062 14 C -3.4543 1.4947 1.0792 C.2 1 UNL1111111111 0.4461 15 C -7.1230 -2.8915 0.1264 C.3 1 UNL1111111111 0.0153 16 C -2.2843 1.2529 0.2004 C.2 1 UNL1111111111 -0.1092 17 C -2.5657 1.1384 -1.2516 C.3 1 UNL1111111111 -0.4504 18 C -1.0761 1.1538 0.7849 C.2 1 UNL1111111111 -0.0967 19 C 0.1626 0.8669 0.0851 C.2 1 UNL1111111111 -0.1708 20 C 1.3050 0.6157 0.7481 C.2 1 UNL1111111111 -0.1394 21 C 2.5805 0.2973 0.1091 C.2 1 UNL1111111111 0.0240 22 C 2.6531 0.3656 -1.3801 C.3 1 UNL1111111111 -0.4547 23 C 3.6343 -0.0502 0.8688 C.2 1 UNL1111111111 -0.1988 24 C 4.9531 -0.4124 0.3391 C.2 1 UNL1111111111 0.0612 25 C 5.2038 -1.8798 0.2612 C.3 1 UNL1111111111 -0.4578 26 C 5.8401 0.5276 -0.0171 C.2 1 UNL1111111111 -0.2126 27 C 7.1743 0.2311 -0.5296 C.2 1 UNL1111111111 -0.1370 28 C 7.5445 0.3103 -1.8148 C.2 1 UNL1111111111 -0.0510 29 C 8.1454 -0.1597 0.5156 C.2 1 UNL1111111111 0.5981 30 C 6.6275 0.7135 -2.9113 C.3 1 UNL1111111111 -0.4501 31 C 9.7135 -1.8433 1.0575 C.3 1 UNL1111111111 -0.1728 32 H -4.4091 -1.3969 0.6920 H 1 UNL1111111111 0.1895 33 H -7.0449 0.9185 -1.7623 H 1 UNL1111111111 0.3293 34 H -8.1793 -1.3761 -1.0090 H 1 UNL1111111111 0.1719 35 H -7.8718 -0.9072 0.6628 H 1 UNL1111111111 0.1813 36 H -6.0408 -1.5597 -2.4194 H 1 UNL1111111111 0.3385 37 H -6.5349 -3.3947 -0.6672 H 1 UNL1111111111 0.1533 38 H -6.6042 -3.0051 1.0944 H 1 UNL1111111111 0.1220 39 H -1.6554 1.1181 -1.8665 H 1 UNL1111111111 0.1598 40 H -3.1643 1.9911 -1.6164 H 1 UNL1111111111 0.1725 41 H -3.1274 0.2191 -1.4910 H 1 UNL1111111111 0.1707 42 H -0.9887 1.2869 1.8729 H 1 UNL1111111111 0.1682 43 H -8.9009 -3.3451 0.8785 H 1 UNL1111111111 0.3141 44 H 0.1204 0.8589 -1.0050 H 1 UNL1111111111 0.1569 45 H 1.3254 0.6330 1.8433 H 1 UNL1111111111 0.1551 46 H 3.6573 0.1312 -1.7640 H 1 UNL1111111111 0.1628 47 H 1.9600 -0.3480 -1.8475 H 1 UNL1111111111 0.1551 48 H 2.3970 1.3704 -1.7464 H 1 UNL1111111111 0.1594 49 H 3.5693 -0.0974 1.9588 H 1 UNL1111111111 0.1655 50 H 4.4936 -2.3668 -0.4228 H 1 UNL1111111111 0.1608 51 H 6.2164 -2.1202 -0.0973 H 1 UNL1111111111 0.1678 52 H 5.0877 -2.3579 1.2451 H 1 UNL1111111111 0.1626 53 H 5.6115 1.5927 0.0714 H 1 UNL1111111111 0.1735 54 H 8.5643 0.0686 -2.1264 H 1 UNL1111111111 0.1552 55 H 5.6864 1.1497 -2.5442 H 1 UNL1111111111 0.1623 56 H 7.0928 1.4562 -3.5762 H 1 UNL1111111111 0.1606 57 H 6.3580 -0.1556 -3.5327 H 1 UNL1111111111 0.1634 58 H 10.5284 -1.1255 1.1992 H 1 UNL1111111111 0.1404 59 H 9.2374 -2.0712 2.0173 H 1 UNL1111111111 0.1397 60 H 10.0640 -2.7536 0.5584 H 1 UNL1111111111 0.1441 @BOND 1 1 9 1 2 1 10 1 3 2 11 1 4 2 36 1 5 3 12 2 6 4 14 2 7 5 15 1 8 5 43 1 9 6 29 1 10 6 31 1 11 7 29 2 12 8 11 1 13 8 12 am 14 8 33 1 15 9 10 1 16 9 11 1 17 9 32 1 18 10 12 1 19 10 14 1 20 11 13 1 21 13 15 1 22 13 34 1 23 13 35 1 24 14 16 1 25 15 37 1 26 15 38 1 27 16 17 1 28 16 18 2 29 17 39 1 30 17 40 1 31 17 41 1 32 18 19 1 33 18 42 1 34 19 20 2 35 19 44 1 36 20 21 1 37 20 45 1 38 21 22 1 39 21 23 2 40 22 46 1 41 22 47 1 42 22 48 1 43 23 24 1 44 23 49 1 45 24 25 1 46 24 26 2 47 25 50 1 48 25 51 1 49 25 52 1 50 26 27 1 51 26 53 1 52 27 28 2 53 27 29 1 54 28 30 1 55 28 54 1 56 30 55 1 57 30 56 1 58 30 57 1 59 31 58 1 60 31 59 1 61 31 60 1