ENTRY C00894 Compound ATOM 52 1 C2b C 29.0724 -28.2800 2 C5a C 30.2849 -27.5800 3 S2a S 31.4973 -28.2800 4 C1b C 32.7097 -27.5800 5 C1b C 33.9222 -28.2800 6 N1b N 35.1346 -27.5800 7 C5a C 36.3470 -28.2800 8 C1b C 37.5595 -27.5800 9 C1b C 38.7719 -28.2800 10 N1b N 39.9844 -27.5800 11 C5a C 41.1968 -28.2800 12 C1c C 42.4092 -27.5800 13 C1d C 43.6217 -28.2800 14 C1b C 44.8341 -27.5800 15 O2b O 46.0465 -28.2800 16 O5a O 30.2849 -26.1802 17 O5a O 36.3470 -29.6799 18 O5a O 41.1968 -29.6796 19 O1a O 42.4092 -26.1800 20 C1a C 43.6217 -26.8800 21 C1a C 43.6217 -29.6800 22 P1b P 47.4465 -28.2800 23 O1c O 48.8465 -28.2800 24 O1c O 47.4465 -29.6800 25 C1y C 40.9500 -23.3100 26 C1y C 42.3500 -23.3100 27 C1y C 42.7826 -21.9785 28 O2x O 41.6500 -21.1556 29 C1y C 40.5174 -21.9785 30 C1b C 44.1022 -21.5497 31 O1a O 40.1271 -24.4426 32 O2b O 43.1729 -24.4426 33 P1b P 44.5729 -24.4426 34 O1c O 44.5729 -23.0426 35 O1c O 45.9729 -24.4426 36 O1c O 44.5729 -25.8426 37 C8y C 36.4000 -20.1600 38 C8y C 36.4000 -21.5600 39 N4y N 38.8249 -21.5600 40 C8x C 38.8249 -20.1600 41 N5x N 37.6124 -19.4600 42 C8y C 35.1876 -19.4600 43 N5x N 33.9751 -20.1600 44 C8x C 33.9751 -21.5600 45 N5x N 35.1876 -22.2600 46 N1a N 35.1876 -18.0602 47 O2b O 46.0845 -21.9820 48 P1b P 47.4845 -21.9820 49 O1c O 47.4845 -20.5820 50 O1c O 48.8845 -21.9820 51 O2c O 47.4845 -25.2020 52 C2a C 27.8433 -27.5702 BOND 54 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 13 14 1 14 14 15 1 15 2 16 2 16 7 17 2 17 11 18 2 18 12 19 1 #Down 19 13 20 1 20 13 21 1 21 15 22 1 22 22 23 2 23 22 24 1 24 25 26 1 25 26 27 1 26 27 28 1 27 28 29 1 28 25 29 1 29 27 30 1 #Down 30 25 31 1 #Up 31 26 32 1 #Up 32 32 33 1 33 33 34 1 34 33 35 1 35 33 36 2 36 37 38 2 37 38 39 1 38 39 40 1 39 40 41 2 40 37 41 1 41 37 42 1 42 42 43 2 43 43 44 1 44 44 45 2 45 38 45 1 46 42 46 1 47 29 39 1 #Down 48 30 47 1 49 47 48 1 50 48 49 1 51 48 50 2 52 48 51 1 53 22 51 1 54 1 52 2 ///