@MOLECULE (1s,2r,4r,8z,10r,12r,13r,21z)-26-(9h-beta-carbolin-1-yl)-28-oxa-3,16-diazahexacyclo[11.11.2.1~1,4~.1~12,16~.0~2,12~.0~3,10~]octacosa-8,21,25-triene 83 91 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.3096 -0.2077 -1.5011 C.3 1 UNL1 0.0442 2 C -1.9033 -0.0549 -0.0710 C.3 1 UNL1 -0.0220 3 C 0.2299 -0.2753 -1.6227 C.3 1 UNL1 -0.1200 4 C -0.9449 -0.1354 1.1526 C.3 1 UNL1 0.2517 5 C -2.3811 -2.2933 -0.7532 C.3 1 UNL1 0.0627 6 C -2.8630 -1.4385 1.5727 C.3 1 UNL1 0.2794 7 C 4.8014 -2.4048 -1.0799 C.ar 1 UNL1 -0.1990 8 C 3.6167 -2.9929 -1.5306 C.ar 1 UNL1 0.0105 9 C 7.0167 -0.3018 0.3687 C.ar 1 UNL1 -0.0712 10 C 5.4674 1.7840 1.5506 C.ar 1 UNL1 -0.2430 11 C 7.6179 0.7446 1.0558 C.ar 1 UNL1 -0.2117 12 C 6.8518 1.7703 1.6360 C.ar 1 UNL1 -0.0796 13 H 2.7374 1.0318 0.9738 H 1 UNL1 0.3300 14 C 2.2498 -1.3445 -0.6095 C.ar 1 UNL1 0.1187 15 C -1.9297 -1.5313 -2.0247 C.3 1 UNL1 -0.3192 16 C -3.0787 -2.8790 2.0378 C.3 1 UNL1 -0.3234 17 C -4.5601 -3.2627 1.9609 C.3 1 UNL1 -0.2485 18 C -5.2026 -2.9125 0.6081 C.3 1 UNL1 -0.2830 19 O -1.5815 -1.0348 2.0674 O.3 1 UNL1 -0.4960 20 C -3.3863 -3.3477 -1.0998 C.2 1 UNL1 -0.2053 21 C -4.5556 -3.6387 -0.5239 C.2 1 UNL1 -0.1272 22 C -1.8139 0.9710 -2.3739 C.3 1 UNL1 -0.1175 23 C 3.3885 -0.6819 -0.1122 C.ar 1 UNL1 0.0479 24 C 4.6914 -1.2227 -0.3580 C.ar 1 UNL1 -0.0241 25 C 5.6300 -0.3201 0.2627 C.ar 1 UNL1 -0.1242 26 C 4.8600 0.7318 0.8599 C.ar 1 UNL1 0.1776 27 N 2.3839 -2.4787 -1.3102 N.ar 1 UNL1 -0.3433 28 C 0.9019 -0.7868 -0.3881 C.2 1 UNL1 -0.0197 29 C 0.3771 -0.7671 0.8381 C.2 1 UNL1 -0.2036 30 N 3.5032 0.5099 0.6097 N.ar 1 UNL1 -0.4067 31 C 0.8465 1.0679 -2.0708 C.3 1 UNL1 -0.3037 32 C -0.6825 1.1510 1.9724 C.3 1 UNL1 -0.2959 33 C 0.0906 2.2772 -1.5070 C.3 1 UNL1 -0.0902 34 C -1.5864 2.3538 1.6992 C.3 1 UNL1 -0.3008 35 C -1.9055 3.4319 -2.4363 C.3 1 UNL1 -0.1005 36 C -2.4725 4.3684 -1.3413 C.3 1 UNL1 -0.2781 37 C -3.6851 3.7346 -0.6409 C.3 1 UNL1 -0.2537 38 C -3.8084 4.1656 0.8354 C.3 1 UNL1 -0.2741 39 N -2.8581 -1.1925 0.1248 N.3 1 UNL1 -0.4817 40 C -3.0081 2.1602 2.1099 C.2 1 UNL1 -0.1406 41 C -3.9990 2.9712 1.7204 C.2 1 UNL1 -0.1860 42 N -1.3651 2.2350 -1.7609 N.3 1 UNL1 -0.4701 43 H 0.4634 -1.0165 -2.4449 H 1 UNL1 0.1697 44 H -2.5117 0.8847 -0.0129 H 1 UNL1 0.1877 45 H -2.7996 -1.3347 -2.6744 H 1 UNL1 0.1521 46 H -1.2227 -2.1308 -2.6163 H 1 UNL1 0.1514 47 H -1.4842 -2.8071 -0.2988 H 1 UNL1 0.1447 48 H 0.8703 -1.2237 1.6975 H 1 UNL1 0.1725 49 H -3.6057 -0.7375 2.0342 H 1 UNL1 0.1311 50 H -1.4784 0.8414 -3.4232 H 1 UNL1 0.1178 51 H -2.9284 0.9756 -2.3838 H 1 UNL1 0.1454 52 H 1.9102 1.1186 -1.7702 H 1 UNL1 0.1479 53 H 0.8554 1.1151 -3.1764 H 1 UNL1 0.1422 54 H -0.7614 0.8709 3.0476 H 1 UNL1 0.1672 55 H 0.3688 1.4659 1.8250 H 1 UNL1 0.1305 56 H 0.2026 2.2925 -0.3951 H 1 UNL1 0.1418 57 H 0.5467 3.2167 -1.8817 H 1 UNL1 0.1212 58 H -3.0409 -3.9626 -1.9386 H 1 UNL1 0.1411 59 H -2.4633 -3.5838 1.4476 H 1 UNL1 0.1597 60 H -2.7071 -2.9761 3.0782 H 1 UNL1 0.1566 61 H -1.1753 3.2438 2.2231 H 1 UNL1 0.1442 62 H -1.5450 2.6178 0.6133 H 1 UNL1 0.1907 63 H -2.7166 3.1595 -3.1432 H 1 UNL1 0.1301 64 H -1.1414 3.9691 -3.0348 H 1 UNL1 0.1143 65 H -5.1402 -4.4845 -0.8934 H 1 UNL1 0.1296 66 H -4.6669 -4.3478 2.1515 H 1 UNL1 0.1360 67 H -5.1214 -2.7548 2.7689 H 1 UNL1 0.1330 68 H 5.7683 -2.8518 -1.2840 H 1 UNL1 0.1670 69 H 3.6263 -3.9265 -2.1029 H 1 UNL1 0.1696 70 H -6.2848 -3.1466 0.6489 H 1 UNL1 0.1292 71 H -5.1528 -1.8138 0.4301 H 1 UNL1 0.1787 72 H -3.1949 1.3007 2.7529 H 1 UNL1 0.1499 73 H 7.6110 -1.0954 -0.0800 H 1 UNL1 0.1551 74 H -1.6723 4.5831 -0.6085 H 1 UNL1 0.1415 75 H -2.7493 5.3379 -1.7882 H 1 UNL1 0.1253 76 H 4.8797 2.5763 1.9997 H 1 UNL1 0.1632 77 H 8.7009 0.7766 1.1509 H 1 UNL1 0.1538 78 H 7.3643 2.5735 2.1663 H 1 UNL1 0.1481 79 H -5.0259 2.7923 2.0293 H 1 UNL1 0.1382 80 H -4.6113 3.9808 -1.1866 H 1 UNL1 0.1251 81 H -3.6012 2.6268 -0.6903 H 1 UNL1 0.1688 82 H -2.9124 4.7351 1.1524 H 1 UNL1 0.1402 83 H -4.6495 4.8744 0.9503 H 1 UNL1 0.1286 @BOND 1 50 22 1 2 53 31 1 3 63 35 1 4 64 35 1 5 45 15 1 6 46 15 1 7 43 3 1 8 35 42 1 9 35 36 1 10 51 22 1 11 22 42 1 12 22 1 1 13 69 8 1 14 31 52 1 15 31 3 1 16 31 33 1 17 15 1 1 18 15 5 1 19 58 20 1 20 57 33 1 21 75 36 1 22 42 33 1 23 3 1 1 24 3 28 1 25 8 27 ar 26 8 7 ar 27 33 56 1 28 1 2 1 29 36 37 1 30 36 74 1 31 27 14 ar 32 68 7 1 33 80 37 1 34 20 5 1 35 20 21 2 36 7 24 ar 37 65 21 1 38 5 47 1 39 5 39 1 40 81 37 1 41 37 38 1 42 14 28 1 43 14 23 ar 44 21 18 1 45 28 29 2 46 24 23 ar 47 24 25 ar 48 23 30 ar 49 73 9 1 50 2 44 1 51 2 39 1 52 2 4 1 53 39 6 1 54 25 9 ar 55 25 26 ar 56 9 11 ar 57 71 18 1 58 18 70 1 59 18 17 1 60 30 26 ar 61 30 13 1 62 62 34 1 63 38 83 1 64 38 82 1 65 38 41 1 66 29 4 1 67 29 48 1 68 26 10 ar 69 11 77 1 70 11 12 ar 71 4 32 1 72 4 19 1 73 59 16 1 74 10 12 ar 75 10 76 1 76 6 49 1 77 6 16 1 78 6 19 1 79 12 78 1 80 34 32 1 81 34 40 1 82 34 61 1 83 41 79 1 84 41 40 2 85 55 32 1 86 17 16 1 87 17 66 1 88 17 67 1 89 32 54 1 90 16 60 1 91 40 72 1