@MOLECULE 2-[(2-amino-1,1-dimethyl-ethyl)amino]-4-(3,5-dimethoxyanilino)-BLAHbicyclo[4.3.0]nona-2,3,6,8-tetraene-5-carboxamide 53 55 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.1911 -0.4863 0.8838 C.ar 1 UNL1 0.3307 2 C -4.2347 0.0891 0.1584 C.ar 1 UNL1 -0.4738 3 C -3.9536 1.2685 -0.5376 C.ar 1 UNL1 0.3395 4 C -2.6840 1.8568 -0.5382 C.ar 1 UNL1 -0.3889 5 C -1.6623 1.2333 0.1908 C.ar 1 UNL1 0.3344 6 C -1.9080 0.0723 0.9264 C.ar 1 UNL1 -0.3577 7 O -3.2841 -1.6241 1.6187 O.3 1 UNL1 -0.3125 8 C -4.5347 -2.2967 1.6309 C.3 1 UNL1 -0.2029 9 O -4.8485 1.9597 -1.2860 O.3 1 UNL1 -0.3054 10 C -6.1800 1.4665 -1.3402 C.3 1 UNL1 -0.2035 11 N -0.3954 1.8670 0.1944 N.pl3 1 UNL1 -0.4500 12 C 0.8045 1.2278 0.1179 C.ar 1 UNL1 0.5385 13 N 0.7631 -0.1490 -0.0233 N.ar 1 UNL1 -0.6087 14 C 1.8758 -0.8684 -0.1709 C.ar 1 UNL1 0.6184 15 N 3.1329 -0.2340 -0.0813 N.ar 1 UNL1 -0.4404 16 C 3.2151 1.1892 0.0804 C.ar 1 UNL1 0.3255 17 C 2.0257 1.9498 0.1525 C.ar 1 UNL1 -0.4919 18 C 2.0241 3.4098 0.2452 C.2 1 UNL1 0.6707 19 O 0.9741 4.0604 0.2578 O.2 1 UNL1 -0.6397 20 N 3.2108 4.0920 0.3152 N.am 1 UNL1 -0.6484 21 N 4.5335 1.4984 0.1317 N.ar 1 UNL1 -0.3085 22 N 5.2688 0.3756 0.0132 N.ar 1 UNL1 -0.1312 23 C 4.4764 -0.6897 -0.1193 C.ar 1 UNL1 0.0079 24 N 1.8686 -2.1934 -0.4673 N.pl3 1 UNL1 -0.5181 25 C 0.6389 -3.0346 -0.4846 C.3 1 UNL1 0.3190 26 C 1.1026 -4.4364 -1.0198 C.3 1 UNL1 -0.1581 27 C 0.0580 -3.1570 0.9270 C.3 1 UNL1 -0.4963 28 C -0.3983 -2.4679 -1.4561 C.3 1 UNL1 -0.4926 29 N 2.2842 -4.9039 -0.2606 N.3 1 UNL1 -0.6541 30 H -5.2173 -0.3539 0.1376 H 1 UNL1 0.1702 31 H -2.5064 2.7666 -1.1053 H 1 UNL1 0.1950 32 H -1.1270 -0.3980 1.5204 H 1 UNL1 0.2005 33 H -5.3120 -1.6683 2.0767 H 1 UNL1 0.1358 34 H -4.8119 -2.6245 0.6248 H 1 UNL1 0.1320 35 H -4.3262 -3.1620 2.2745 H 1 UNL1 0.1507 36 H -6.2115 0.4813 -1.8141 H 1 UNL1 0.1322 37 H -6.6336 1.4497 -0.3446 H 1 UNL1 0.1351 38 H -6.6764 2.2143 -1.9746 H 1 UNL1 0.1552 39 H -0.3631 2.9215 0.1945 H 1 UNL1 0.3919 40 H 4.0919 3.6109 0.3106 H 1 UNL1 0.3363 41 H 3.2108 5.0886 0.3821 H 1 UNL1 0.3145 42 H 4.7668 -1.7145 -0.2328 H 1 UNL1 0.1972 43 H 2.7341 -2.7377 -0.3852 H 1 UNL1 0.3479 44 H 0.2432 -5.1338 -0.9717 H 1 UNL1 0.1256 45 H 1.3858 -4.3400 -2.0914 H 1 UNL1 0.1552 46 H -0.3239 -2.1829 1.2788 H 1 UNL1 0.1876 47 H -0.7908 -3.8472 0.9526 H 1 UNL1 0.1550 48 H 0.7993 -3.4945 1.6572 H 1 UNL1 0.1541 49 H 0.0412 -2.2060 -2.4250 H 1 UNL1 0.1632 50 H -1.2199 -3.1690 -1.6238 H 1 UNL1 0.1487 51 H -0.8510 -1.5387 -1.0599 H 1 UNL1 0.2028 52 H 2.0374 -5.2116 0.6670 H 1 UNL1 0.2543 53 H 2.7625 -5.6523 -0.7355 H 1 UNL1 0.2573 @BOND 1 49 28 1 2 45 26 1 3 38 10 1 4 36 10 1 5 50 28 1 6 28 51 1 7 28 25 1 8 10 9 1 9 10 37 1 10 9 3 1 11 31 4 1 12 26 44 1 13 26 25 1 14 26 29 1 15 53 29 1 16 4 3 ar 17 4 5 ar 18 3 2 ar 19 25 24 1 20 25 27 1 21 24 43 1 22 24 14 1 23 29 52 1 24 42 23 1 25 14 15 ar 26 14 13 ar 27 23 15 ar 28 23 22 ar 29 15 16 ar 30 13 12 ar 31 22 21 ar 32 16 21 ar 33 16 17 ar 34 12 17 ar 35 12 11 1 36 30 2 1 37 17 18 1 38 2 1 ar 39 5 11 1 40 5 6 ar 41 11 39 1 42 18 19 2 43 18 20 am 44 40 20 1 45 20 41 1 46 34 8 1 47 1 6 ar 48 1 7 1 49 6 32 1 50 27 47 1 51 27 46 1 52 27 48 1 53 7 8 1 54 8 33 1 55 8 35 1