@MOLECULE 4-[(4-azido-2-nitrophenyl)amino]-n-(3-sec-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-yl)butanamide 41 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -6.4042 -4.5685 -0.6349 O.2 1 UNL1 -0.1410 2 O -1.0598 -1.0256 -0.3585 O.2 1 UNL1 -0.3395 3 O -8.5779 -4.1716 0.9265 O.2 1 UNL1 -0.5041 4 O 7.0140 -3.3982 -0.2398 O.2 1 UNL1 -0.2964 5 O 5.1317 -2.3631 -0.2090 O.2 1 UNL1 -0.5456 6 N -4.9713 2.5664 0.0098 N.pl3 1 UNL1 -0.1148 7 N -0.9671 1.2547 -0.1423 N.am 1 UNL1 -0.3892 8 N 4.7869 0.0873 -0.0112 N.pl3 1 UNL1 0.1237 9 N 6.3686 -2.3782 -0.1627 N.pl3 1 UNL1 0.6411 10 N 10.4654 0.3714 0.2673 N.2 1 UNL1 -0.3876 11 N 11.2446 -0.6216 0.2161 N.2 1 UNL1 0.4620 12 N 12.1328 -1.3187 0.1937 N.2 1 UNL1 -0.1151 13 C -2.5789 2.9218 0.0027 C.2 1 UNL1 -0.2408 14 C -2.3735 1.4571 -0.1235 C.2 1 UNL1 -0.0496 15 C -4.8051 1.0871 -0.1232 C.3 1 UNL1 -0.0504 16 C -3.8663 3.3038 0.0538 C.3 1 UNL1 0.2648 17 C -3.5055 0.7283 -0.1743 C.2 1 UNL1 0.1005 18 C -1.2692 3.5426 0.0469 C.2 1 UNL1 0.1268 19 C -6.2586 2.9452 0.0887 C.2 1 UNL1 0.0685 20 C -5.9838 0.2408 -0.1667 C.2 1 UNL1 -0.0691 21 C -7.3187 2.1907 0.0685 C.2 1 UNL1 0.0008 22 C -7.3752 0.8354 -0.0465 C.3 1 UNL1 0.0470 23 C -0.9836 4.8217 0.1532 C.1 1 UNL1 -0.5945 24 C -0.2480 2.4166 -0.0470 C.3 1 UNL1 0.2251 25 C -5.9307 -1.0972 -0.3033 C.2 1 UNL1 0.0938 26 C -8.2911 -0.2051 -0.0939 C.2 1 UNL1 -0.0727 27 C -0.6932 6.0698 0.2531 C.1 1 UNL1 0.3492 28 C -0.3831 -0.0385 -0.2444 C.2 1 UNL1 0.6050 29 C -6.8935 -2.1437 -0.3537 C.2 1 UNL1 -0.2774 30 C -8.1132 -1.4497 -0.2192 C.2 1 UNL1 0.0077 31 C 1.0561 -0.0151 -0.1889 C.3 1 UNL1 0.0239 32 C 2.2711 0.0068 -0.1324 C.1 1 UNL1 -0.0040 33 C 3.6300 0.0401 -0.0681 C.1 1 UNL1 0.2307 34 C -6.6494 -3.4545 -0.4899 C.1 1 UNL1 0.5395 35 C -9.4621 -4.2105 1.6501 C.2 1 UNL1 0.5077 36 C 6.1276 0.1135 0.0529 C.ar 1 UNL1 -0.0200 37 C 7.0131 -1.0952 -0.0142 C.ar 1 UNL1 -0.0304 38 C 6.8996 1.2368 0.1842 C.ar 1 UNL1 -0.0784 39 C 8.3497 -0.9742 0.0566 C.ar 1 UNL1 -0.3390 40 C 8.1782 1.2351 0.2400 C.ar 1 UNL1 -0.0596 41 C 9.0973 0.2184 0.1932 C.ar 1 UNL1 0.3013 @BOND 1 1 34 2 2 34 29 2 3 2 28 2 4 29 25 1 5 29 30 1 6 25 20 2 7 28 31 1 8 28 7 am 9 4 9 2 10 30 26 2 11 5 9 2 12 31 32 1 13 17 14 2 14 17 15 1 15 20 15 1 16 20 22 1 17 9 37 1 18 7 14 1 19 7 24 1 20 32 33 3 21 14 13 1 22 15 6 1 23 26 22 1 24 33 8 1 25 24 18 1 26 22 21 1 27 37 36 ar 28 37 39 ar 29 8 36 1 30 13 18 2 31 13 16 1 32 6 16 1 33 6 19 1 34 18 23 1 35 36 38 ar 36 39 41 ar 37 21 19 2 38 23 27 3 39 38 40 ar 40 41 40 ar 41 41 10 1 42 12 11 2 43 11 10 2 44 3 35 2