@MOLECULE [(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxo-1,4-dihydroisoquinoline-1,3,4,8a-tetraid-7-yl] acetate 58 59 0 0 0 SMALL USER_CHARGES @ATOM 1 CL 1.1672 3.1312 -0.5110 Cl 1 UNL11111111 -0.0446 2 O 5.3234 0.3867 0.3838 O.3 1 UNL11111111 -0.3855 3 O 3.7967 -1.7924 1.0331 O.2 1 UNL11111111 -0.4474 4 O 4.0393 2.6352 -0.3182 O.2 1 UNL11111111 -0.4024 5 O -1.6046 -5.0877 -0.8902 O.3 1 UNL11111111 -0.5214 6 O 4.4999 -0.4458 -1.5348 O.2 1 UNL11111111 -0.5071 7 N -0.2715 -1.8884 0.3549 N.4 1 UNL11111111 -0.2985 8 C 3.9996 0.5731 0.8630 C.3 1 UNL11111111 0.0908 9 C 1.7966 -0.6961 0.5137 C.3 1 UNL11111111 -0.3225 10 C 1.1710 0.5432 0.1189 C.2 1 UNL11111111 0.1714 11 C 3.2350 -0.7495 0.7962 C.2 1 UNL11111111 0.4676 12 C 3.3486 1.7371 0.0918 C.2 1 UNL11111111 0.4456 13 C 1.0783 -1.8622 0.5967 C.3 1 UNL11111111 0.1559 14 C -0.9344 -0.7088 -0.0067 C.3 1 UNL11111111 0.1976 15 C 1.9045 1.6732 -0.0434 C.2 1 UNL11111111 -0.2874 16 C -0.2538 0.4661 -0.1055 C.3 1 UNL11111111 -0.2655 17 C 4.1686 0.9791 2.3225 C.3 1 UNL11111111 -0.4518 18 C -0.9828 -3.1686 0.3981 C.3 1 UNL11111111 -0.1494 19 C -6.8978 0.9913 0.2715 C.3 1 UNL11111111 -0.0983 20 C -2.3724 -0.7891 -0.2861 C.2 1 UNL11111111 -0.2556 21 C -0.8940 -3.8779 -0.9745 C.3 1 UNL11111111 -0.0217 22 C -7.1289 2.3428 -0.4367 C.3 1 UNL11111111 -0.2590 23 C -5.4410 0.8135 0.5683 C.2 1 UNL11111111 -0.1454 24 C -4.7203 -0.2784 0.2674 C.2 1 UNL11111111 -0.0451 25 C -3.2842 -0.2810 0.5529 C.2 1 UNL11111111 -0.0726 26 C -7.6793 0.9400 1.5919 C.3 1 UNL11111111 -0.4487 27 C 5.4528 -0.1106 -0.8814 C.2 1 UNL11111111 0.6335 28 C -6.4307 2.3843 -1.7951 C.3 1 UNL11111111 -0.4411 29 C -5.2890 -1.4992 -0.3758 C.3 1 UNL11111111 -0.4368 30 C 6.8942 -0.1500 -1.2473 C.3 1 UNL11111111 -0.5060 31 H 1.5651 -2.8148 0.8688 H 1 UNL11111111 0.1939 32 H -0.7879 1.3774 -0.3818 H 1 UNL11111111 0.1954 33 H 4.6700 0.1847 2.8946 H 1 UNL11111111 0.1735 34 H 4.7976 1.8794 2.4031 H 1 UNL11111111 0.1782 35 H 3.2044 1.1947 2.7981 H 1 UNL11111111 0.1623 36 H -2.0467 -3.0153 0.6898 H 1 UNL11111111 0.1639 37 H -0.5516 -3.8252 1.1902 H 1 UNL11111111 0.1709 38 H -7.2724 0.1796 -0.3992 H 1 UNL11111111 0.1413 39 H -2.6392 -1.2431 -1.2412 H 1 UNL11111111 0.1740 40 H -8.2152 2.5091 -0.5658 H 1 UNL11111111 0.1386 41 H -6.7712 3.1730 0.2006 H 1 UNL11111111 0.1395 42 H 0.1404 -4.2015 -1.2078 H 1 UNL11111111 0.1631 43 H -1.2727 -3.2484 -1.7968 H 1 UNL11111111 0.1282 44 H -4.9781 1.6746 1.0552 H 1 UNL11111111 0.1532 45 H -2.9885 0.1890 1.4973 H 1 UNL11111111 0.1605 46 H -7.3853 1.7505 2.2681 H 1 UNL11111111 0.1494 47 H -7.5049 -0.0058 2.1172 H 1 UNL11111111 0.1466 48 H -8.7571 1.0286 1.4181 H 1 UNL11111111 0.1475 49 H -5.3490 2.2316 -1.6948 H 1 UNL11111111 0.1496 50 H -6.8094 1.6066 -2.4670 H 1 UNL11111111 0.1413 51 H -6.5816 3.3504 -2.2903 H 1 UNL11111111 0.1457 52 H -6.2637 -1.7692 0.0580 H 1 UNL11111111 0.1585 53 H -4.6412 -2.3764 -0.2626 H 1 UNL11111111 0.1454 54 H -5.4475 -1.3406 -1.4536 H 1 UNL11111111 0.1602 55 H 7.5141 -0.5520 -0.4307 H 1 UNL11111111 0.1843 56 H 7.2668 0.8651 -1.4676 H 1 UNL11111111 0.1916 57 H 7.0538 -0.7720 -2.1415 H 1 UNL11111111 0.1837 58 H -2.5705 -4.9360 -0.9318 H 1 UNL11111111 0.3112 @BOND 1 50 28 1 2 51 28 1 3 57 30 1 4 43 21 1 5 28 49 1 6 28 22 1 7 6 27 2 8 56 30 1 9 54 29 1 10 30 27 1 11 30 55 1 12 39 20 1 13 42 21 1 14 21 5 1 15 21 18 1 16 58 5 1 17 27 2 1 18 40 22 1 19 1 15 1 20 22 41 1 21 22 19 1 22 38 19 1 23 32 16 1 24 29 53 1 25 29 52 1 26 29 24 1 27 4 12 2 28 20 14 1 29 20 25 2 30 16 14 1 31 16 10 1 32 15 12 1 33 15 10 2 34 14 7 1 35 12 8 1 36 10 9 1 37 24 25 1 38 24 23 2 39 19 23 1 40 19 26 1 41 7 18 1 42 7 13 1 43 2 8 1 44 18 36 1 45 18 37 1 46 9 13 1 47 9 11 1 48 25 45 1 49 23 44 1 50 13 31 1 51 11 8 1 52 11 3 2 53 8 17 1 54 48 26 1 55 26 47 1 56 26 46 1 57 17 34 1 58 17 35 1 59 17 33 1