# Name: 4amj_CVD_1_ligand # Modification time : Tue Mar 25 05:47:29 2014 @MOLECULE 4amj_ligand 55 58 1 0 0 SMALL NO_CHARGES @ATOM 1 O1 -25.5540 -11.7130 23.3710 O.3 1 CVD1359 0.0000 2 C1 -24.6280 -11.9070 24.4390 C.3 1 CVD1359 0.0000 3 C2 -23.2980 -11.3470 24.0210 C.3 1 CVD1359 0.0000 4 O2 -22.3900 -11.5230 25.1020 O.3 1 CVD1359 0.0000 5 C3 -21.0440 -11.2850 24.9430 C.ar 1 CVD1359 0.0000 6 C14 -20.5440 -10.6680 23.7850 C.ar 1 CVD1359 0.0000 7 C13 -19.1830 -10.4300 23.6730 C.ar 1 CVD1359 0.0000 8 C12 -18.3340 -10.8790 24.6670 C.ar 1 CVD1359 0.0000 9 C6 -18.8250 -11.5240 25.7870 C.ar 1 CVD1359 0.0000 10 C4 -20.1720 -11.7310 25.9110 C.ar 1 CVD1359 0.0000 11 C5 -20.4090 -12.3920 27.1070 C.ar 1 CVD1359 0.0000 12 C8 -21.6040 -12.8010 27.6780 C.ar 1 CVD1359 0.0000 13 C11 -21.6100 -13.4550 28.9010 C.ar 1 CVD1359 0.0000 14 C10 -20.4020 -13.6760 29.5540 C.ar 1 CVD1359 0.0000 15 C9 -19.1920 -13.2500 28.9880 C.ar 1 CVD1359 0.0000 16 C7 -19.2090 -12.5790 27.7620 C.ar 1 CVD1359 0.0000 17 N1 -18.2550 -12.0390 26.9430 N.pl3 1 CVD1359 0.0000 18 C15 -24.5260 -13.4280 24.5900 C.3 1 CVD1359 0.0000 19 N2 -25.9180 -13.9340 24.6640 N.4 1 CVD1359 0.0000 20 C16 -25.9020 -15.4150 24.7470 C.3 1 CVD1359 0.0000 21 C17 -27.2660 -15.8660 25.2740 C.3 1 CVD1359 0.0000 22 O3 -28.2830 -14.9680 24.8290 O.3 1 CVD1359 0.0000 23 C18 -29.6460 -15.2290 25.0300 C.ar 1 CVD1359 0.0000 24 C23 -30.4720 -15.4940 23.9140 C.ar 1 CVD1359 0.0000 25 C22 -31.8350 -15.7650 24.0640 C.ar 1 CVD1359 0.0000 26 C21 -32.3890 -15.7650 25.3550 C.ar 1 CVD1359 0.0000 27 C20 -31.5770 -15.4870 26.4770 C.ar 1 CVD1359 0.0000 28 C19 -30.1980 -15.2210 26.3360 C.ar 1 CVD1359 0.0000 29 O4 -29.3970 -14.9970 27.4770 O.3 1 CVD1359 0.0000 30 C24 -29.3870 -13.7820 28.2780 C.3 1 CVD1359 0.0000 31 H -24.9550 -11.4894 25.3361 H 1 CVD1359 0.0000 32 H -23.4297 -10.2921 23.7718 H 1 CVD1359 0.0000 33 H -22.9664 -11.8754 23.1249 H 1 CVD1359 0.0000 34 H -21.1854 -10.3994 23.0348 H 1 CVD1359 0.0000 35 H -18.8118 -9.9261 22.8607 H 1 CVD1359 0.0000 36 H -17.3109 -10.7296 24.5712 H 1 CVD1359 0.0000 37 H -22.4953 -12.6178 27.1901 H 1 CVD1359 0.0000 38 H -22.4882 -13.7706 29.3178 H 1 CVD1359 0.0000 39 H -20.3909 -14.1587 30.4659 H 1 CVD1359 0.0000 40 H -18.3094 -13.4289 29.4676 H 1 CVD1359 0.0000 41 H -17.3030 -12.0141 27.1353 H 1 CVD1359 0.0000 42 H -23.9893 -13.6519 25.4941 H 1 CVD1359 0.0000 43 H -24.0186 -13.8289 23.7312 H 1 CVD1359 0.0000 44 H -25.1363 -15.7506 25.4316 H 1 CVD1359 0.0000 45 H -25.7451 -15.8502 23.7705 H 1 CVD1359 0.0000 46 H -27.2048 -15.9016 26.3687 H 1 CVD1359 0.0000 47 H -27.4400 -16.8881 24.9156 H 1 CVD1359 0.0000 48 H -30.0527 -15.4856 22.9695 H 1 CVD1359 0.0000 49 H -32.4186 -15.9593 23.2542 H 1 CVD1359 0.0000 50 H -33.3840 -15.9667 25.4867 H 1 CVD1359 0.0000 51 H -32.0001 -15.4783 27.4164 H 1 CVD1359 0.0000 52 H -28.7448 -13.8460 29.0419 H 1 CVD1359 0.0000 53 H -29.1214 -12.9833 27.7380 H 1 CVD1359 0.0000 54 H -30.2871 -13.5864 28.6674 H 1 CVD1359 0.0000 55 H -25.3580 -12.4481 22.7220 H 1 CVD1359 0.0000 @BOND 1 2 1 1 2 55 1 1 3 3 2 1 4 18 2 1 5 31 2 1 6 4 3 1 7 32 3 1 8 33 3 1 9 5 4 1 10 6 5 ar 11 10 5 ar 12 7 6 ar 13 34 6 1 14 8 7 ar 15 35 7 1 16 9 8 ar 17 36 8 1 18 10 9 ar 19 17 9 1 20 11 10 1 21 12 11 ar 22 16 11 ar 23 13 12 ar 24 37 12 1 25 14 13 ar 26 38 13 1 27 15 14 ar 28 39 14 1 29 16 15 ar 30 40 15 1 31 17 16 1 32 41 17 1 33 19 18 1 34 42 18 1 35 43 18 1 36 20 19 1 37 21 20 1 38 44 20 1 39 45 20 1 40 22 21 1 41 46 21 1 42 47 21 1 43 23 22 1 44 24 23 ar 45 28 23 ar 46 25 24 ar 47 48 24 1 48 26 25 ar 49 49 25 1 50 27 26 ar 51 50 26 1 52 28 27 ar 53 51 27 1 54 29 28 1 55 30 29 1 56 52 30 1 57 53 30 1 58 54 30 1 @SUBSTRUCTURE 1 CVD1359 1 GROUP @SET