ENTRY D00588 Drug ATOM 53 1 C8y C 25.5128 -19.2413 2 C8y C 24.2948 -19.9406 3 C8y C 25.5070 -17.8485 4 N4y N 26.7249 -19.9406 5 C8y C 23.0828 -19.2354 6 O2x O 24.2948 -21.3449 7 C8y C 26.7133 -17.1434 8 C8x C 24.3007 -17.1318 9 C8x C 27.9312 -19.2354 10 C1y C 26.7249 -21.3449 11 N1y N 21.8590 -19.9406 12 C8y C 23.0828 -17.8311 13 C1x C 25.5128 -22.0383 14 C8y C 27.9312 -17.8368 15 O5x O 26.7074 -15.7506 16 C1a C 27.9312 -22.0442 17 C1x C 21.8532 -21.3449 18 C1x C 20.6470 -19.2296 19 X F 21.8590 -17.1434 20 C6a C 29.1316 -17.1434 21 C1x C 20.6353 -22.0325 22 C1x C 19.4407 -19.9289 23 O6a O 30.3378 -17.8427 24 O6a O 29.1258 -15.7448 25 N1y N 19.4290 -21.3333 26 C1a C 18.2111 -22.0325 27 O0 O 34.9829 -18.9205 28 C8y C 25.5128 -19.2413 29 C8y C 24.2948 -19.9406 30 C8y C 23.0828 -19.2354 31 N1y N 21.8590 -19.9406 32 C1x C 21.8532 -21.3449 33 C1x C 20.6353 -22.0325 34 N1y N 19.4290 -21.3333 35 C1a C 18.2111 -22.0325 36 C1x C 19.4407 -19.9289 37 C1x C 20.6470 -19.2296 38 C8y C 23.0828 -17.8311 39 C8x C 24.3007 -17.1318 40 C8y C 25.5070 -17.8485 41 C8y C 26.7133 -17.1434 42 C8y C 27.9312 -17.8368 43 C8x C 27.9312 -19.2354 44 N4y N 26.7249 -19.9406 45 C1y C 26.7249 -21.3449 46 C1x C 25.5128 -22.0383 47 O2x O 24.2948 -21.3449 48 C1a C 27.9312 -22.0442 49 C6a C 29.1316 -17.1434 50 O6a O 30.3378 -17.8427 51 O6a O 29.1258 -15.7448 52 O5x O 26.7074 -15.7506 53 X F 21.8590 -17.1434 BOND 58 1 25 26 1 2 8 12 2 3 9 14 2 4 10 13 1 5 22 25 1 6 1 2 1 7 1 3 2 8 1 4 1 9 2 5 2 10 2 6 1 11 3 7 1 12 3 8 1 13 4 9 1 14 4 10 1 15 5 11 1 16 5 12 1 17 6 13 1 18 7 14 1 19 7 15 2 20 10 16 1 #Up 21 11 17 1 22 11 18 1 23 12 19 1 24 14 20 1 25 17 21 1 26 18 22 1 27 20 23 1 28 20 24 2 29 21 25 1 30 34 35 1 31 39 38 2 32 43 42 2 33 45 46 1 34 36 34 1 35 28 29 1 36 28 40 2 37 28 44 1 38 29 30 2 39 29 47 1 40 40 41 1 41 40 39 1 42 44 43 1 43 44 45 1 44 30 31 1 45 30 38 1 46 47 46 1 47 41 42 1 48 41 52 2 49 45 48 1 #Up 50 31 32 1 51 31 37 1 52 38 53 1 53 42 49 1 54 32 33 1 55 37 36 1 56 49 50 1 57 49 51 2 58 33 34 1 BRACKET 1 16.7300 -23.0300 16.7300 -15.1200 1 31.5700 -15.1200 31.5700 -23.0300 1 2 ORIGINAL 1 1 2 5 11 17 21 25 26 22 18 12 8 3 7 14 9 1 4 10 13 6 16 20 23 24 15 19 REPEAT 1 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 1 44 45 46 47 48 49 50 51 52 53 ///