ENTRY D01516 Drug ATOM 52 1 C2y C 8.4700 -22.8900 2 C1z C 7.2100 -22.1900 3 C2y C 8.4700 -24.3600 4 C1x C 6.0200 -22.8900 5 C1a C 7.9100 -21.0000 6 C1a C 6.5100 -21.0000 7 C1x C 7.2100 -25.0600 8 C1a C 9.6600 -25.0600 9 C1x C 6.0200 -24.3600 10 C2b C 9.6600 -22.1900 11 C2b C 10.8500 -22.8900 12 C2c C 12.1100 -22.1900 13 C2b C 13.3000 -22.8900 14 C2b C 14.4900 -22.1900 15 C2b C 15.6800 -22.8900 16 C2c C 16.9400 -22.1900 17 C2b C 18.1300 -22.8900 18 C7a C 19.3200 -22.1900 19 O7a O 20.5100 -22.8900 20 O6a O 19.3200 -20.7900 21 C8y C 21.7700 -22.1900 22 C1a C 12.1100 -20.7900 23 C1a C 16.9400 -20.7900 24 C8y C 22.9600 -22.8900 25 C8y C 22.9600 -20.0900 26 C8y C 21.7700 -20.7900 27 C8y C 24.1500 -20.7900 28 C8y C 24.1500 -22.1900 29 C1x C 25.4100 -22.8900 30 C1x C 26.6000 -22.1900 31 C1z C 26.6000 -20.7900 32 O2x O 25.4100 -20.0900 33 C1a C 20.5100 -20.0900 34 C1a C 22.9600 -18.6900 35 C1a C 22.9600 -24.2900 36 C1b C 27.7900 -20.0900 37 C1b C 28.9100 -20.7900 38 C1b C 30.1700 -20.0900 39 C1c C 31.3600 -20.7900 40 C1b C 32.5500 -20.0900 41 C1b C 33.8100 -20.7900 42 C1b C 35.0000 -20.0900 43 C1c C 36.1900 -20.7900 44 C1b C 37.3800 -20.0900 45 C1b C 38.6400 -20.7900 46 C1a C 27.7900 -21.4900 47 C1a C 31.3600 -22.1900 48 C1a C 36.1900 -22.1900 49 C1b C 39.8300 -20.0900 50 C1c C 41.0200 -20.7900 51 C1a C 42.2800 -20.0900 52 C1a C 41.0200 -22.1900 BOND 54 1 27 25 1 2 25 26 2 3 26 21 1 4 12 13 2 5 2 5 1 6 13 14 1 7 2 6 1 8 14 15 2 9 3 7 1 10 27 28 2 11 28 29 1 12 29 30 1 13 30 31 1 14 31 32 1 15 32 27 1 16 15 16 1 17 26 33 1 18 3 8 1 19 25 34 1 20 16 17 2 21 24 35 1 22 4 9 1 23 31 36 1 24 17 18 1 25 36 37 1 26 7 9 1 27 37 38 1 28 18 19 1 29 38 39 1 30 39 40 1 31 18 20 2 32 40 41 1 33 1 10 1 34 41 42 1 35 19 21 1 36 42 43 1 37 1 2 1 38 43 44 1 39 12 22 1 40 44 45 1 41 10 11 2 42 31 46 1 #Up 43 16 23 1 44 39 47 1 #Up 45 1 3 2 46 43 48 1 #Up 47 11 12 1 48 45 49 1 49 2 4 1 50 49 50 1 51 21 24 2 52 50 51 1 53 24 28 1 54 50 52 1 ///