ENTRY D08679 Drug ATOM 60 1 C1z C 27.1600 -19.2500 2 C1y C 28.2800 -18.5500 3 C1y C 27.1600 -20.5100 4 C8y C 24.9200 -19.2500 5 C1x C 26.3200 -18.1300 6 C1z C 29.4000 -19.2500 7 N1y N 28.2800 -17.2200 8 C1z C 28.2800 -21.2100 9 N1y N 26.0400 -21.2100 10 C8y C 24.9200 -20.5100 11 C8x C 23.8000 -18.5500 12 C1x C 26.9500 -17.2200 13 C1y C 29.4000 -20.5100 14 C2x C 30.5900 -18.5500 15 C1b C 30.5200 -19.8800 16 C1x C 29.4000 -16.5900 17 C7a C 29.1900 -22.3300 18 O1a O 27.7900 -23.1000 19 C4a C 25.4100 -22.2600 20 C8x C 23.8000 -21.2100 21 C8y C 22.6800 -19.2500 22 O7a O 31.8500 -21.4200 23 C2x C 30.5900 -17.2200 24 C1a C 31.6400 -19.2500 25 O7a O 29.1900 -23.6600 26 C8y C 22.6800 -20.5100 27 C1z C 20.1600 -16.8700 28 C7a C 33.1800 -21.4200 29 C1a C 28.0000 -24.3600 30 O2a O 21.5600 -21.1400 31 C8y C 19.0400 -16.1000 32 C1x C 21.4200 -16.1000 33 C7a C 19.8100 -18.1300 34 C1a C 33.8100 -20.3000 35 O6a O 33.8100 -22.5400 36 C1a C 20.4400 -20.5100 37 C8y C 19.0400 -14.7700 38 N4x N 17.9200 -16.7300 39 C1y C 21.4200 -14.8400 40 O7a O 18.3400 -18.6200 41 O6a O 20.6500 -19.1800 42 C8y C 16.7300 -14.7700 43 C1x C 18.3400 -13.6500 44 C8y C 16.7300 -16.1000 45 C1x C 20.3000 -14.2100 46 C1x C 22.6100 -14.0000 47 C1a C 17.5000 -20.0200 48 C8x C 15.6100 -14.0700 49 C1x C 19.1100 -12.6700 50 C8x C 15.6100 -16.7300 51 N1y N 20.3000 -12.9500 52 C1z C 22.5400 -12.8800 53 C8x C 14.4900 -14.7700 54 C8x C 14.4900 -16.1000 55 C1x C 21.4200 -12.1800 56 C1b C 24.0800 -13.3700 57 O1a O 23.3800 -11.5500 58 C1a C 25.1300 -12.7400 59 O6a O 30.5200 -21.8400 60 O4a O 24.0100 -22.2600 BOND 68 1 1 2 1 2 1 3 1 3 1 4 1 4 1 5 1 #Up 5 2 6 1 6 2 7 1 7 3 8 1 8 3 9 1 9 4 10 2 10 4 11 1 11 5 12 1 12 6 13 1 13 6 14 1 14 6 15 1 #Down 15 7 16 1 16 8 17 1 #Down 17 8 18 1 #Up 18 9 19 1 19 10 20 1 20 11 21 2 21 13 22 1 #Up 22 14 23 2 23 15 24 1 24 17 25 1 25 20 26 2 26 27 21 1 #Down 27 22 28 1 28 25 29 1 29 26 30 1 30 27 31 1 31 27 32 1 32 27 33 1 #Up 33 28 34 1 34 28 35 2 35 30 36 1 36 31 37 2 37 31 38 1 38 32 39 1 39 33 40 1 40 33 41 2 41 37 42 1 42 37 43 1 43 38 44 1 44 39 45 1 #Down 45 39 46 1 46 40 47 1 47 42 48 1 48 43 49 1 49 44 50 1 50 51 45 1 #Down 51 46 52 1 52 48 53 2 53 50 54 2 54 51 55 1 55 52 56 1 #Down 56 52 57 1 #Up 57 56 58 1 58 7 12 1 59 8 13 1 60 9 10 1 61 16 23 1 62 21 26 1 63 42 44 2 64 49 51 1 65 52 55 1 66 53 54 1 67 17 59 2 68 19 60 2 ///