ENTRY D01854 Drug ATOM 49 1 N1y N 14.7700 -17.2900 2 C5a C 15.9600 -16.5900 3 C1b C 17.1500 -17.2900 4 C1c C 18.3400 -16.5900 5 C6a C 19.6000 -17.2900 6 O6a O 20.7900 -16.5900 #- 7 C1x C 14.5600 -18.6900 8 C1x C 13.4400 -16.7300 9 C1y C 12.5300 -17.7800 10 C1y C 13.2300 -18.9700 11 C1x C 12.5300 -20.1600 12 C1x C 11.1300 -20.1600 13 C1x C 10.4300 -18.9700 14 C1x C 11.1300 -17.7800 15 O5a O 15.9600 -15.1900 16 C1b C 18.4100 -15.1900 17 O6a O 19.6000 -18.6900 18 C8y C 19.6000 -14.4900 19 C8x C 19.6000 -13.0900 20 C8x C 20.7900 -12.3900 21 C8x C 22.0500 -13.0900 22 C8x C 22.0500 -14.4900 23 C8x C 20.7900 -15.1900 24 Z Ca 25.3400 -14.4200 #2+ 25 O0 O 26.6700 -17.2200 26 N1y N 14.7700 -17.2900 27 C5a C 15.9600 -16.5900 28 O5a O 15.9600 -15.1900 29 C1b C 17.1500 -17.2900 30 C1c C 18.3400 -16.5900 31 C6a C 19.6000 -17.2900 32 O6a O 20.7900 -16.5900 #- 33 O6a O 19.6000 -18.6900 34 C1b C 18.4100 -15.1900 35 C8y C 19.6000 -14.4900 36 C8x C 19.6000 -13.0900 37 C8x C 20.7900 -12.3900 38 C8x C 22.0500 -13.0900 39 C8x C 22.0500 -14.4900 40 C8x C 20.7900 -15.1900 41 C1x C 14.5600 -18.6900 42 C1y C 13.2300 -18.9700 43 C1y C 12.5300 -17.7800 44 C1x C 11.1300 -17.7800 45 C1x C 10.4300 -18.9700 46 C1x C 11.1300 -20.1600 47 C1x C 12.5300 -20.1600 48 C1x C 13.4400 -16.7300 49 O0 O 26.6700 -17.2200 BOND 50 1 4 5 1 2 1 2 1 3 5 6 1 4 9 10 1 5 10 11 1 6 11 12 1 7 12 13 1 8 13 14 1 9 14 9 1 10 2 15 2 11 2 3 1 12 4 16 1 #Down 13 1 7 1 14 5 17 2 15 7 10 1 16 16 18 1 17 9 8 1 18 8 1 1 19 3 4 1 20 18 19 2 21 19 20 1 22 20 21 2 23 21 22 1 24 22 23 2 25 23 18 1 26 30 31 1 27 26 27 1 28 31 32 1 29 43 42 1 30 42 47 1 31 47 46 1 32 46 45 1 33 45 44 1 34 44 43 1 35 27 28 2 36 27 29 1 37 30 34 1 #Down 38 26 41 1 39 31 33 2 40 41 42 1 41 34 35 1 42 43 48 1 43 48 26 1 44 29 30 1 45 35 36 2 46 36 37 1 47 37 38 2 48 38 39 1 49 39 40 2 50 40 35 1 BRACKET 1 9.6600 -20.8600 9.6600 -11.4800 1 22.7500 -11.4800 22.7500 -20.8600 1 2 ORIGINAL 1 1 2 15 3 4 5 6 17 16 18 19 20 21 22 23 7 1 10 24 9 25 14 13 12 11 8 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 2 24.4300 -18.2700 24.4300 -16.1700 2 27.2300 -16.1700 27.2300 -18.2700 2 2 ORIGINAL 2 27 REPEAT 2 53 ///