@MOLECULE (1r,2r,4r,5z,12r,13s,16z)-25-(8-acetoxy-9h-beta-carbolin-1-yl)-11,22-diazapentacyclo[11.11.2.1~2,22~.0~2,12~.0~4,11~]heptacosa-5,16,25-trien-13-yl acetate 96 103 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3595 0.8188 2.1945 O.3 1 UNL11 -0.3605 2 O 0.5710 1.7470 2.9371 O.2 1 UNL11 -0.5662 3 O 4.7241 2.0156 -0.4509 O.3 1 UNL11 -0.4105 4 O 5.8318 3.0093 1.2484 O.2 1 UNL11 -0.4636 5 N -3.2977 0.0490 1.0702 N.3 1 UNL11 -0.4654 6 N -2.3342 -0.8184 -2.8021 N.3 1 UNL11 -0.4396 7 N 1.4867 -3.6629 0.4823 N.ar 1 UNL11 -0.3467 8 N 3.1636 -0.3837 -0.0357 N.ar 1 UNL11 -0.3709 9 C -2.0684 -1.4272 -0.4327 C.3 1 UNL11 0.0381 10 C -2.1655 0.0266 0.1133 C.3 1 UNL11 -0.0030 11 C -0.6672 -1.9628 -0.7723 C.3 1 UNL11 -0.1157 12 C -2.6891 -2.2517 0.7172 C.3 1 UNL11 -0.3350 13 C -0.8912 0.5662 0.8539 C.3 1 UNL11 0.2726 14 C -2.9896 -1.5251 -1.6833 C.3 1 UNL11 -0.1412 15 C -3.7881 -1.3330 1.3130 C.3 1 UNL11 0.0832 16 C -0.1168 -1.5423 -2.1524 C.3 1 UNL11 -0.2808 17 C 0.3492 -1.5192 0.2344 C.2 1 UNL11 0.0143 18 C 0.2433 -0.3970 0.9523 C.2 1 UNL11 -0.2441 19 C -1.1755 -1.6176 -3.2599 C.3 1 UNL11 -0.1072 20 C -4.3069 1.0767 0.7817 C.3 1 UNL11 -0.0806 21 C -0.4550 1.9220 0.2531 C.3 1 UNL11 -0.3321 22 C -5.1406 -1.6882 0.7576 C.2 1 UNL11 -0.2372 23 C -3.2589 -0.4785 -3.9029 C.3 1 UNL11 -0.1075 24 C 1.5717 -2.3369 0.3168 C.ar 1 UNL11 0.1149 25 C -4.9049 1.5836 2.1117 C.3 1 UNL11 -0.2630 26 C -0.1324 1.8835 -1.2466 C.3 1 UNL11 -0.2857 27 C -6.3416 -1.2199 1.1098 C.2 1 UNL11 -0.1292 28 C -5.6343 0.4996 2.9119 C.3 1 UNL11 -0.2604 29 C -4.0951 0.7757 -3.5599 C.3 1 UNL11 -0.2773 30 C -6.7446 -0.1922 2.1157 C.3 1 UNL11 -0.2776 31 C 2.8348 -1.7221 0.1825 C.ar 1 UNL11 0.0521 32 C -0.5594 1.3635 3.1259 C.2 1 UNL11 0.6281 33 C -0.4714 3.1977 -1.8734 C.2 1 UNL11 -0.1615 34 C -3.3053 1.9081 -2.8906 C.3 1 UNL11 -0.2405 35 C 4.0281 -2.5157 0.2128 C.ar 1 UNL11 -0.0302 36 C -2.0200 2.2889 -3.6420 C.3 1 UNL11 -0.2749 37 C -1.2986 3.3755 -2.9089 C.2 1 UNL11 -0.1678 38 C -1.3087 1.4243 4.4187 C.3 1 UNL11 -0.5146 39 C 2.6164 -4.4095 0.5225 C.ar 1 UNL11 -0.0009 40 C 3.9060 -3.8896 0.3875 C.ar 1 UNL11 -0.1890 41 C 5.1316 -1.6010 0.0415 C.ar 1 UNL11 -0.0895 42 C 4.5528 -0.2986 -0.0839 C.ar 1 UNL11 0.1042 43 C 6.5178 -1.7455 -0.0067 C.ar 1 UNL11 -0.1071 44 C 5.3763 0.8243 -0.2507 C.ar 1 UNL11 0.1550 45 C 7.3086 -0.6168 -0.1692 C.ar 1 UNL11 -0.1691 46 C 6.7490 0.6697 -0.2853 C.ar 1 UNL11 -0.1526 47 C 4.9699 3.0545 0.4196 C.2 1 UNL11 0.6255 48 C 4.0020 4.1423 0.1180 C.3 1 UNL11 -0.5088 49 H -2.3546 0.7139 -0.7602 H 1 UNL11 0.1638 50 H -0.7344 -3.0868 -0.7596 H 1 UNL11 0.1728 51 H -1.9200 -2.4639 1.4855 H 1 UNL11 0.1704 52 H -3.0718 -3.2256 0.3905 H 1 UNL11 0.1429 53 H -3.2062 -2.5895 -1.9111 H 1 UNL11 0.1190 54 H -3.9651 -1.0387 -1.4672 H 1 UNL11 0.1449 55 H -3.8110 -1.4524 2.4317 H 1 UNL11 0.1487 56 H 0.7460 -2.1843 -2.4137 H 1 UNL11 0.1452 57 H 0.2773 -0.5077 -2.1014 H 1 UNL11 0.1552 58 H 1.0003 -0.1216 1.6936 H 1 UNL11 0.1814 59 H -0.7669 -1.1784 -4.1947 H 1 UNL11 0.1318 60 H -1.4360 -2.6730 -3.4852 H 1 UNL11 0.1151 61 H -5.1119 0.7275 0.1019 H 1 UNL11 0.1208 62 H -3.8164 1.9386 0.2732 H 1 UNL11 0.1273 63 H 0.4217 2.3134 0.8076 H 1 UNL11 0.1719 64 H -1.2710 2.6485 0.4472 H 1 UNL11 0.1558 65 H -5.0988 -2.4569 -0.0200 H 1 UNL11 0.1421 66 H -3.9412 -1.3149 -4.1656 H 1 UNL11 0.1100 67 H -2.6588 -0.2629 -4.8153 H 1 UNL11 0.1337 68 H -5.5893 2.4239 1.8979 H 1 UNL11 0.1245 69 H -4.0811 1.9937 2.7311 H 1 UNL11 0.1455 70 H -0.6821 1.0519 -1.7476 H 1 UNL11 0.1812 71 H 0.9412 1.6569 -1.4059 H 1 UNL11 0.1441 72 H -7.2218 -1.6320 0.5958 H 1 UNL11 0.1317 73 H -6.0709 0.9585 3.8209 H 1 UNL11 0.1231 74 H -4.9079 -0.2479 3.2862 H 1 UNL11 0.1515 75 H -4.9334 0.4890 -2.8960 H 1 UNL11 0.1329 76 H -4.5584 1.1475 -4.4937 H 1 UNL11 0.1334 77 H -7.3504 0.5864 1.5988 H 1 UNL11 0.1465 78 H -7.4460 -0.6743 2.8348 H 1 UNL11 0.1412 79 H 0.0165 4.0517 -1.4023 H 1 UNL11 0.1350 80 H -3.0307 1.5964 -1.8572 H 1 UNL11 0.1487 81 H -3.9540 2.7966 -2.7819 H 1 UNL11 0.1286 82 H -1.3709 1.3921 -3.7433 H 1 UNL11 0.1634 83 H -2.2608 2.6000 -4.6751 H 1 UNL11 0.1306 84 H -1.4990 4.3767 -3.2885 H 1 UNL11 0.1311 85 H 2.5351 0.3888 0.0626 H 1 UNL11 0.3396 86 H -0.8094 0.8034 5.1782 H 1 UNL11 0.1822 87 H -1.3408 2.4547 4.7989 H 1 UNL11 0.1754 88 H -2.3452 1.0621 4.3156 H 1 UNL11 0.1871 89 H 2.4488 -5.4814 0.6699 H 1 UNL11 0.1674 90 H 4.7796 -4.5319 0.4190 H 1 UNL11 0.1654 91 H 6.9646 -2.7328 0.0874 H 1 UNL11 0.1575 92 H 8.3923 -0.7172 -0.2026 H 1 UNL11 0.1564 93 H 7.3957 1.5401 -0.3883 H 1 UNL11 0.1724 94 H 3.2369 4.2027 0.9133 H 1 UNL11 0.1967 95 H 4.5096 5.1186 0.0764 H 1 UNL11 0.1842 96 H 3.4724 3.9925 -0.8371 H 1 UNL11 0.1891 @BOND 1 1 13 1 2 1 32 1 3 2 32 2 4 3 44 1 5 3 47 1 6 4 47 2 7 5 10 1 8 5 15 1 9 5 20 1 10 6 14 1 11 6 19 1 12 6 23 1 13 7 24 ar 14 7 39 ar 15 8 31 ar 16 8 42 ar 17 8 85 1 18 9 10 1 19 9 11 1 20 9 12 1 21 9 14 1 22 10 13 1 23 10 49 1 24 11 16 1 25 11 17 1 26 11 50 1 27 12 15 1 28 12 51 1 29 12 52 1 30 13 18 1 31 13 21 1 32 14 53 1 33 14 54 1 34 15 22 1 35 15 55 1 36 16 19 1 37 16 56 1 38 16 57 1 39 17 18 2 40 17 24 1 41 18 58 1 42 19 59 1 43 19 60 1 44 20 25 1 45 20 61 1 46 20 62 1 47 21 26 1 48 21 63 1 49 21 64 1 50 22 27 2 51 22 65 1 52 23 29 1 53 23 66 1 54 23 67 1 55 24 31 ar 56 25 28 1 57 25 68 1 58 25 69 1 59 26 33 1 60 26 70 1 61 26 71 1 62 27 30 1 63 27 72 1 64 28 30 1 65 28 73 1 66 28 74 1 67 29 34 1 68 29 75 1 69 29 76 1 70 30 77 1 71 30 78 1 72 31 35 ar 73 32 38 1 74 33 37 2 75 33 79 1 76 34 36 1 77 34 80 1 78 34 81 1 79 35 40 ar 80 35 41 ar 81 36 37 1 82 36 82 1 83 36 83 1 84 37 84 1 85 38 86 1 86 38 87 1 87 38 88 1 88 39 40 ar 89 39 89 1 90 40 90 1 91 41 42 ar 92 41 43 ar 93 42 44 ar 94 43 45 ar 95 43 91 1 96 44 46 ar 97 45 46 ar 98 45 92 1 99 46 93 1 100 47 48 1 101 48 94 1 102 48 95 1 103 48 96 1