@MOLECULE 1-[(1r,13s)-4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3.1.0~2,11~.0~3,8~]heptadeca-3,5,7-trien-17-yl]-2-(3,4,5-trimethoxyphenyl)-1,2-ethanedione 70 74 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5567 -0.0450 -3.5754 O.2 1 UNL1111111111 -0.5345 2 C -0.7859 -0.5264 -2.4844 C.2 1 UNL1111111111 0.5556 3 C 0.3115 -0.5236 -1.4087 C.3 1 UNL1111111111 0.0193 4 N -1.9891 -1.1801 -2.2360 N.am 1 UNL1111111111 -0.4783 5 C -3.0991 -0.8057 -3.1305 C.3 1 UNL1111111111 -0.0689 6 C -3.6754 0.5453 -2.6744 C.3 1 UNL1111111111 -0.3265 7 C -4.0019 0.5099 -1.2141 C.ar 1 UNL1111111111 0.1508 8 C -4.8528 1.4907 -0.7121 C.ar 1 UNL1111111111 -0.3527 9 C -5.2187 1.4530 0.6395 C.ar 1 UNL1111111111 0.3273 10 O -6.0176 2.4864 1.0025 O.3 1 UNL1111111111 -0.3062 11 C -6.3439 2.6034 2.3812 C.3 1 UNL1111111111 -0.2029 12 C -4.8113 0.4170 1.4789 C.ar 1 UNL1111111111 -0.4365 13 C -3.9719 -0.5547 0.9347 C.ar 1 UNL1111111111 0.3251 14 O -3.6130 -1.6836 1.6037 O.3 1 UNL1111111111 -0.3472 15 C -3.6305 -1.6278 3.0254 C.3 1 UNL1111111111 -0.1912 16 C -3.4813 -0.4896 -0.3810 C.ar 1 UNL1111111111 -0.2651 17 C -2.4495 -1.4858 -0.8624 C.3 1 UNL1111111111 0.0912 18 C -1.2430 -1.5928 0.1315 C.3 1 UNL1111111111 0.0587 19 C -0.4865 -2.9358 -0.0029 C.3 1 UNL1111111111 -0.2983 20 C 0.3035 -3.0521 -1.3106 C.3 1 UNL1111111111 -0.2636 21 C 1.1587 -1.8046 -1.5534 C.3 1 UNL1111111111 -0.2875 22 N -0.3246 -0.4767 -0.0972 N.am 1 UNL1111111111 -0.4952 23 C 0.0075 0.3852 0.9169 C.2 1 UNL1111111111 0.4988 24 O -0.4777 0.2855 2.0247 O.2 1 UNL1111111111 -0.5136 25 C 1.0411 1.4721 0.6007 C.2 1 UNL1111111111 0.3899 26 O 0.6851 2.5944 0.3650 O.2 1 UNL1111111111 -0.3581 27 C 2.4475 1.0225 0.5975 C.ar 1 UNL1111111111 -0.0976 28 C 3.3974 1.8151 -0.0382 C.ar 1 UNL1111111111 -0.2183 29 C 2.8007 -0.1912 1.1893 C.ar 1 UNL1111111111 -0.2627 30 C 4.1184 -0.6280 1.1159 C.ar 1 UNL1111111111 0.1738 31 O 4.5907 -1.7932 1.6322 O.3 1 UNL1111111111 -0.2626 32 C 3.6329 -2.6394 2.2582 C.3 1 UNL1111111111 -0.2175 33 C 5.1034 0.1487 0.4570 C.ar 1 UNL1111111111 0.0821 34 O 6.3230 -0.4419 0.3933 O.3 1 UNL1111111111 -0.2665 35 C 7.4458 0.4137 0.2066 C.3 1 UNL1111111111 -0.2061 36 C 4.7214 1.3763 -0.1096 C.ar 1 UNL1111111111 0.1461 37 O 5.7306 2.0586 -0.7198 O.3 1 UNL1111111111 -0.3135 38 C 5.4086 3.3360 -1.2558 C.3 1 UNL1111111111 -0.2037 39 H 0.9550 0.3816 -1.5795 H 1 UNL1111111111 0.1756 40 H -2.7273 -0.7482 -4.1798 H 1 UNL1111111111 0.1679 41 H -3.8715 -1.6039 -3.0977 H 1 UNL1111111111 0.1454 42 H -2.9383 1.3570 -2.8751 H 1 UNL1111111111 0.1822 43 H -4.5699 0.8020 -3.2757 H 1 UNL1111111111 0.1645 44 H -5.2303 2.2871 -1.3466 H 1 UNL1111111111 0.1816 45 H -6.9667 1.7649 2.7053 H 1 UNL1111111111 0.1312 46 H -5.4394 2.6939 2.9918 H 1 UNL1111111111 0.1404 47 H -6.9176 3.5398 2.4041 H 1 UNL1111111111 0.1516 48 H -5.1370 0.3607 2.5072 H 1 UNL1111111111 0.1767 49 H -3.1497 -2.5749 3.3018 H 1 UNL1111111111 0.1472 50 H -3.0397 -0.7779 3.3890 H 1 UNL1111111111 0.1518 51 H -4.6589 -1.5958 3.3949 H 1 UNL1111111111 0.1313 52 H -2.9381 -2.5021 -0.9143 H 1 UNL1111111111 0.1568 53 H -1.6285 -1.5230 1.1892 H 1 UNL1111111111 0.1932 54 H 0.2028 -3.0367 0.8580 H 1 UNL1111111111 0.1441 55 H -1.2046 -3.7716 0.0852 H 1 UNL1111111111 0.1432 56 H 0.9444 -3.9525 -1.2877 H 1 UNL1111111111 0.1357 57 H -0.3934 -3.2053 -2.1600 H 1 UNL1111111111 0.1555 58 H 1.6135 -1.8351 -2.5627 H 1 UNL1111111111 0.1588 59 H 2.0032 -1.7691 -0.8370 H 1 UNL1111111111 0.1579 60 H 3.0930 2.7672 -0.4743 H 1 UNL1111111111 0.1867 61 H 2.0511 -0.7788 1.7188 H 1 UNL1111111111 0.1830 62 H 2.8610 -2.9556 1.5495 H 1 UNL1111111111 0.1351 63 H 4.2523 -3.4964 2.5568 H 1 UNL1111111111 0.1542 64 H 3.1986 -2.1583 3.1407 H 1 UNL1111111111 0.1403 65 H 7.4181 1.2794 0.8736 H 1 UNL1111111111 0.1399 66 H 8.2822 -0.2495 0.4664 H 1 UNL1111111111 0.1495 67 H 7.5100 0.7222 -0.8436 H 1 UNL1111111111 0.1452 68 H 6.3757 3.6644 -1.6594 H 1 UNL1111111111 0.1500 69 H 4.6705 3.2475 -2.0600 H 1 UNL1111111111 0.1411 70 H 5.0693 4.0193 -0.4709 H 1 UNL1111111111 0.1385 @BOND 1 2 1 2 2 2 3 1 3 3 21 1 4 3 39 1 5 4 2 am 6 5 4 1 7 5 40 1 8 5 41 1 9 6 5 1 10 6 42 1 11 6 43 1 12 7 6 1 13 7 16 ar 14 8 7 ar 15 8 44 1 16 9 8 ar 17 9 12 ar 18 10 9 1 19 11 10 1 20 11 45 1 21 11 46 1 22 11 47 1 23 12 13 ar 24 12 48 1 25 13 16 ar 26 13 14 1 27 15 14 1 28 15 49 1 29 15 50 1 30 15 51 1 31 16 17 1 32 17 4 1 33 17 18 1 34 17 52 1 35 18 22 1 36 18 19 1 37 18 53 1 38 19 20 1 39 19 54 1 40 19 55 1 41 20 56 1 42 20 57 1 43 21 20 1 44 21 58 1 45 21 59 1 46 22 3 1 47 23 24 2 48 23 22 am 49 25 23 1 50 25 26 2 51 27 25 1 52 28 27 ar 53 28 60 1 54 29 27 ar 55 29 61 1 56 30 29 ar 57 31 30 1 58 31 32 1 59 32 62 1 60 32 63 1 61 32 64 1 62 33 36 ar 63 33 30 ar 64 34 33 1 65 35 34 1 66 35 65 1 67 35 66 1 68 35 67 1 69 36 28 ar 70 37 38 1 71 37 36 1 72 38 68 1 73 38 69 1 74 38 70 1