@MOLECULE n-[4-(3-{[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]amino}propyl)phenyl]-2-diazo-3,3,3-trifluoro-n-methylpropanamide 40 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 10.0582 -2.2640 0.4224 C.1 1 UNL1 0.6546 2 O 10.8136 -2.9963 -0.0299 O.2 1 UNL1 -0.1540 3 C 12.2928 -0.5173 -0.3066 C.2 1 UNL1 0.3984 4 O 13.1278 0.1269 -0.7303 O.2 1 UNL1 -0.3974 5 C 7.4680 0.3678 0.8244 C.2 1 UNL1 0.0137 6 C 8.4175 -0.4772 0.2310 C.2 1 UNL1 -0.1167 7 C 9.1569 -1.4357 0.9994 C.2 1 UNL1 -0.4089 8 C 9.0342 -1.6432 2.4581 C.3 1 UNL1 0.1266 9 C 8.0533 -0.7111 2.7976 C.2 1 UNL1 -0.0930 10 C 7.3682 0.1416 2.1874 C.2 1 UNL1 -0.0949 11 C 7.5585 0.8408 -1.4779 C.2 1 UNL1 -0.7099 12 C 7.4496 1.2412 -2.7402 C.2 1 UNL1 0.6144 13 C 8.5109 -0.2109 -1.2076 C.3 1 UNL1 0.1443 14 C -7.8652 -1.3186 -1.4099 C.3 1 UNL1 0.5399 15 N -10.6796 1.6351 2.6846 N.3 1 UNL1 0.0195 16 N -10.2806 1.0363 1.8226 N.3 1 UNL1 0.3907 17 F -12.0057 -0.1877 0.1659 F 1 UNL1 -0.1984 18 F -10.5942 0.0585 -1.3864 F 1 UNL1 -0.1785 19 F -10.5419 -1.6726 -0.1741 F 1 UNL1 -0.1784 20 C -8.3376 0.2908 0.6807 C.2 1 UNL1 0.6734 21 C -9.7968 0.3374 0.8186 C.3 1 UNL1 -0.4900 22 C -10.7150 -0.3540 -0.1270 C.3 1 UNL1 0.5972 23 O -7.5964 0.8808 1.4246 O.2 1 UNL1 -0.4172 24 N -7.8223 -0.4838 -0.3705 N.am 1 UNL1 -0.5452 25 C -3.3020 -0.3019 -0.6952 C.3 1 UNL1 0.2674 26 C -4.1925 -1.2707 -0.0648 C.2 1 UNL1 -0.0776 27 C -5.4214 -1.4312 -0.0918 C.2 1 UNL1 -0.0758 28 C -6.4634 -0.7291 -0.8383 C.3 1 UNL1 -0.0389 29 C -5.5897 0.2691 -1.4521 C.2 1 UNL1 -0.0774 30 C -4.3589 0.4080 -1.4088 C.2 1 UNL1 -0.0787 31 C -2.0089 -0.1191 -0.6359 C.3 1 UNL1 -0.2770 32 C -0.7508 0.0712 -0.5808 C.1 1 UNL1 0.3122 33 C 0.5088 0.2653 -0.5289 C.1 1 UNL1 -0.3769 34 N 1.7316 0.4624 -0.4746 N.pl3 1 UNL1 0.3002 35 C 7.1406 2.6769 0.0974 C.1 1 UNL1 0.0794 36 C 6.8328 1.2833 -0.2086 C.3 1 UNL1 0.1925 37 C 5.4153 1.0723 -0.3013 C.3 1 UNL1 -0.1078 38 C 4.2168 0.8697 -0.3604 C.1 1 UNL1 0.0548 39 C 2.8888 0.6545 -0.4293 C.1 1 UNL1 -0.0990 40 N 7.3972 3.7758 0.3418 N.1 1 UNL1 -0.1876 @BOND 1 12 11 2 2 11 13 1 3 11 36 1 4 29 30 2 5 29 28 1 6 14 28 1 7 14 24 1 8 30 25 1 9 18 22 1 10 13 6 1 11 28 24 1 12 28 27 1 13 4 3 2 14 25 31 1 15 25 26 1 16 31 32 1 17 32 33 3 18 33 34 1 19 34 39 1 20 39 38 3 21 24 20 am 22 38 37 1 23 37 36 1 24 36 35 1 25 36 5 1 26 19 22 1 27 22 17 1 28 22 21 1 29 27 26 2 30 2 1 2 31 35 40 3 32 6 5 2 33 6 7 1 34 1 7 2 35 20 21 1 36 20 23 2 37 21 16 1 38 5 10 1 39 7 8 1 40 16 15 1 41 10 9 2 42 8 9 1