@MOLECULE (7r,9ar,14br,15as)-10-acetyl-7-methyl-14b-(2-methyl-3-buten-2-yl)-10,14b,15,15a-tetrahydroindolo[3'',2'':4',5']pyrrolo[2',1':3,4]pyrazino[2,1-b]quinazoline-5,8(7h,9ah)-dione 63 68 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.0991 -2.7625 1.7229 O.2 1 UNL1 -0.5151 2 O 3.9379 -2.8208 -1.1985 O.2 1 UNL1 -0.5140 3 O -4.4820 -2.1105 0.5736 O.2 1 UNL1 -0.4734 4 N 0.3180 -1.0967 0.2117 N.am 1 UNL1 -0.5427 5 N 2.7065 -1.1986 -0.2369 N.am 1 UNL1 -0.5290 6 N -2.5218 -1.1019 0.0556 N.ar 1 UNL1 -0.4980 7 N -2.4444 1.1376 -0.7354 N.ar 1 UNL1 -0.4836 8 C 1.6973 0.8958 0.5267 C.3 1 UNL1 0.0012 9 C 1.6583 -0.6927 0.6763 C.3 1 UNL1 0.2672 10 C 0.2918 1.2880 0.0348 C.3 1 UNL1 -0.2973 11 C -0.3289 -0.0083 -0.5379 C.3 1 UNL1 0.0844 12 C 2.1169 1.5832 1.8546 C.3 1 UNL1 0.0850 13 C 2.6903 1.1011 -0.5828 C.ar 1 UNL1 -0.1285 14 C 3.2231 -0.1368 -1.0155 C.ar 1 UNL1 0.2081 15 C -1.8447 0.0210 -0.4039 C.ar 1 UNL1 0.3591 16 C -0.4013 -2.0870 0.8506 C.2 1 UNL1 0.5591 17 C 1.1892 1.1724 3.0148 C.3 1 UNL1 -0.4624 18 C 3.5505 1.1662 2.2137 C.3 1 UNL1 -0.4636 19 C -1.8130 -2.3621 0.3281 C.3 1 UNL1 0.0293 20 C 1.9784 3.0773 1.6876 C.2 1 UNL1 -0.1375 21 C 3.0705 2.2769 -1.1984 C.ar 1 UNL1 -0.1078 22 C 3.1359 -2.5292 -0.3394 C.2 1 UNL1 0.6333 23 C 4.1374 -0.1950 -2.0606 C.ar 1 UNL1 -0.2126 24 C 3.9943 2.2248 -2.2474 C.ar 1 UNL1 -0.2040 25 C -1.7111 -3.2268 -0.9286 C.3 1 UNL1 -0.4622 26 C -3.9449 -1.1004 0.1840 C.ar 1 UNL1 0.5912 27 C 4.5159 1.0048 -2.6683 C.ar 1 UNL1 -0.1027 28 C 2.9788 3.9561 1.7043 C.2 1 UNL1 -0.3233 29 C 2.6061 -3.5277 0.6368 C.3 1 UNL1 -0.5198 30 C -3.8290 1.2335 -0.6393 C.ar 1 UNL1 0.2338 31 C -4.6015 0.1512 -0.1761 C.ar 1 UNL1 -0.2508 32 C -4.4563 2.4421 -1.0044 C.ar 1 UNL1 -0.1916 33 C -5.9942 0.2767 -0.0704 C.ar 1 UNL1 -0.0452 34 C -5.8304 2.5457 -0.8950 C.ar 1 UNL1 -0.0788 35 C -6.6017 1.4676 -0.4269 C.ar 1 UNL1 -0.2007 36 H 1.8401 -1.0664 1.7160 H 1 UNL1 0.1751 37 H 0.3256 2.0816 -0.7349 H 1 UNL1 0.1809 38 H -0.3331 1.7002 0.8488 H 1 UNL1 0.1712 39 H -0.0686 -0.1249 -1.6299 H 1 UNL1 0.1875 40 H 1.3143 0.1208 3.2942 H 1 UNL1 0.1528 41 H 0.1312 1.3252 2.7786 H 1 UNL1 0.1496 42 H 1.4099 1.7660 3.9110 H 1 UNL1 0.1558 43 H 3.6399 0.0866 2.3700 H 1 UNL1 0.1486 44 H 4.2595 1.4315 1.4181 H 1 UNL1 0.1617 45 H 3.8863 1.6579 3.1337 H 1 UNL1 0.1542 46 H -2.3834 -2.9215 1.1336 H 1 UNL1 0.2082 47 H 0.9464 3.4112 1.5588 H 1 UNL1 0.1448 48 H 2.6621 3.2317 -0.8714 H 1 UNL1 0.1586 49 H 4.5522 -1.1445 -2.4024 H 1 UNL1 0.1984 50 H 4.3030 3.1451 -2.7359 H 1 UNL1 0.1518 51 H -2.7111 -3.4947 -1.3011 H 1 UNL1 0.1753 52 H -1.1835 -4.1679 -0.7191 H 1 UNL1 0.1709 53 H -1.1790 -2.7201 -1.7436 H 1 UNL1 0.1640 54 H 5.2310 0.9770 -3.4906 H 1 UNL1 0.1524 55 H 2.8313 5.0196 1.5952 H 1 UNL1 0.1416 56 H 4.0192 3.6987 1.8260 H 1 UNL1 0.1510 57 H 1.6285 -3.9219 0.3130 H 1 UNL1 0.1933 58 H 2.4641 -3.1347 1.6539 H 1 UNL1 0.1881 59 H 3.2901 -4.3898 0.7068 H 1 UNL1 0.1853 60 H -3.8440 3.2684 -1.3646 H 1 UNL1 0.1795 61 H -6.5803 -0.5720 0.2944 H 1 UNL1 0.1758 62 H -6.3297 3.4749 -1.1737 H 1 UNL1 0.1538 63 H -7.6819 1.5769 -0.3473 H 1 UNL1 0.1626 @BOND 1 54 27 1 2 50 24 1 3 27 24 ar 4 27 23 ar 5 49 23 1 6 24 21 ar 7 23 14 ar 8 53 25 1 9 39 11 1 10 60 32 1 11 51 25 1 12 2 22 2 13 21 48 1 14 21 13 ar 15 62 34 1 16 14 13 ar 17 14 5 1 18 32 34 ar 19 32 30 ar 20 25 52 1 21 25 19 1 22 34 35 ar 23 7 30 ar 24 7 15 ar 25 37 10 1 26 30 31 ar 27 13 8 1 28 11 15 1 29 11 10 1 30 11 4 1 31 35 63 1 32 35 33 ar 33 15 6 ar 34 22 5 am 35 22 29 1 36 5 9 1 37 31 33 ar 38 31 26 ar 39 33 61 1 40 10 8 1 41 10 38 1 42 6 26 ar 43 6 19 1 44 26 3 2 45 4 9 1 46 4 16 am 47 57 29 1 48 19 16 1 49 19 46 1 50 8 9 1 51 8 12 1 52 29 59 1 53 29 58 1 54 9 36 1 55 16 1 2 56 44 18 1 57 47 20 1 58 55 28 1 59 20 28 2 60 20 12 1 61 28 56 1 62 12 18 1 63 12 17 1 64 18 43 1 65 18 45 1 66 41 17 1 67 17 40 1 68 17 42 1