ENTRY D00458 Drug ATOM 62 1 C6a C 32.1775 -15.4692 2 C2b C 33.3886 -16.1712 3 O6a O 30.9665 -16.1712 4 O6a O 32.1775 -14.0711 5 C2b C 34.6053 -15.4692 6 C6a C 35.8163 -16.1712 7 O6a O 37.0273 -15.4692 8 O6a O 35.8163 -17.5693 9 C8y C 17.0800 -17.6400 10 N2x N 17.9200 -16.5200 11 C2y C 19.3200 -16.5200 12 C8y C 20.2300 -17.5700 13 C8y C 17.3600 -18.9700 14 C8y C 19.9500 -18.9700 15 S2x S 18.6900 -19.6000 16 C8x C 21.0000 -19.8800 17 C8x C 22.3300 -19.4600 18 C8x C 22.6100 -18.0600 19 C8x C 21.5600 -17.1500 20 C8x C 15.6800 -17.2200 21 C8x C 14.7000 -18.2000 22 C8x C 15.0500 -19.6000 23 C8x C 16.3800 -19.9500 24 N1y N 19.9500 -15.2600 25 C1x C 21.2800 -15.1200 26 C1x C 21.9100 -13.8600 27 N1y N 21.0700 -12.6700 28 C1x C 19.7400 -12.8100 29 C1x C 19.1100 -14.0700 30 C1b C 21.7000 -11.4100 31 C1b C 23.0300 -11.4100 32 O2a O 23.8700 -12.6000 33 C1b C 25.2000 -12.6000 34 C1b C 25.9000 -13.5800 35 O1a O 27.4400 -13.5800 36 C8y C 17.0800 -17.6400 37 C8y C 17.3600 -18.9700 38 S2x S 18.6900 -19.6000 39 C8y C 19.9500 -18.9700 40 C8y C 20.2300 -17.5700 41 C2y C 19.3200 -16.5200 42 N2x N 17.9200 -16.5200 43 N1y N 19.9500 -15.2600 44 C1x C 21.2800 -15.1200 45 C1x C 21.9100 -13.8600 46 N1y N 21.0700 -12.6700 47 C1x C 19.7400 -12.8100 48 C1x C 19.1100 -14.0700 49 C1b C 21.7000 -11.4100 50 C1b C 23.0300 -11.4100 51 O2a O 23.8700 -12.6000 52 C1b C 25.2000 -12.6000 53 C1b C 25.9000 -13.5800 54 O1a O 27.4400 -13.5800 55 C8x C 21.5600 -17.1500 56 C8x C 22.6100 -18.0600 57 C8x C 22.3300 -19.4600 58 C8x C 21.0000 -19.8800 59 C8x C 16.3800 -19.9500 60 C8x C 15.0500 -19.6000 61 C8x C 14.7000 -18.2000 62 C8x C 15.6800 -17.2200 BOND 67 1 1 2 1 2 1 3 1 3 1 4 2 4 2 5 2 5 5 6 1 6 6 7 1 7 6 8 2 8 11 12 1 9 9 13 1 10 12 14 1 11 10 11 2 12 13 15 1 13 9 10 1 14 14 15 1 15 14 16 2 16 16 17 1 17 17 18 2 18 18 19 1 19 12 19 2 20 9 20 2 21 20 21 1 22 21 22 2 23 22 23 1 24 13 23 2 25 11 24 1 26 24 25 1 27 25 26 1 28 26 27 1 29 27 28 1 30 28 29 1 31 24 29 1 32 27 30 1 33 30 31 1 34 31 32 1 35 32 33 1 36 33 34 1 37 34 35 1 38 41 40 1 39 36 37 1 40 40 39 1 41 42 41 2 42 37 38 1 43 36 42 1 44 39 38 1 45 39 58 2 46 58 57 1 47 57 56 2 48 56 55 1 49 40 55 2 50 36 62 2 51 62 61 1 52 61 60 2 53 60 59 1 54 37 59 2 55 41 43 1 56 43 44 1 57 44 45 1 58 45 46 1 59 46 47 1 60 47 48 1 61 43 48 1 62 46 49 1 63 49 50 1 64 50 51 1 65 51 52 1 66 52 53 1 67 53 54 1 BRACKET 1 14.0700 -20.4400 14.0700 -10.5700 1 28.7000 -10.5700 28.7000 -20.4400 1 2 ORIGINAL 1 9 13 15 14 12 11 10 24 25 26 27 28 29 30 31 32 1 33 34 35 19 18 17 16 23 22 21 20 REPEAT 1 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 1 52 53 54 55 56 57 58 59 60 61 62 ///