ENTRY C00798 Compound ATOM 50 1 C4a C 30.0749 -31.2200 2 S2a S 31.2873 -31.9200 3 C1b C 32.4997 -31.2200 4 C1b C 33.7122 -31.9200 5 N1b N 34.9246 -31.2200 6 C5a C 36.1370 -31.9200 7 C1b C 37.3495 -31.2200 8 C1b C 38.5619 -31.9200 9 N1b N 39.7744 -31.2200 10 C5a C 40.9868 -31.9200 11 C1c C 42.1992 -31.2200 12 C1d C 43.4117 -31.9200 13 C1b C 44.6241 -31.2200 14 O2b O 45.8365 -31.9200 15 O4a O 30.0749 -29.8202 16 O5a O 36.1370 -33.3199 17 O5a O 40.9868 -33.3196 18 O1a O 42.1992 -29.8200 19 C1a C 43.4117 -30.5200 20 C1a C 43.4117 -33.3200 21 P1b P 47.2365 -31.9200 22 O1c O 48.6365 -31.9200 23 O1c O 47.2365 -33.3200 24 C1y C 40.7400 -26.9500 25 C1y C 42.1400 -26.9500 26 C1y C 42.5726 -25.6185 27 O2x O 41.4400 -24.7956 28 C1y C 40.3074 -25.6185 29 C1b C 43.8922 -25.1897 30 O1a O 39.9171 -28.0826 31 O2b O 42.9629 -28.0826 32 P1b P 44.3629 -28.0826 33 O1c O 44.3629 -26.6826 34 O1c O 45.7629 -28.0826 35 O1c O 44.3629 -29.4826 36 C8y C 36.1900 -23.8000 37 C8y C 36.1900 -25.2000 38 N4y N 38.6149 -25.2000 39 C8x C 38.6149 -23.8000 40 N5x N 37.4024 -23.1000 41 C8y C 34.9776 -23.1000 42 N5x N 33.7651 -23.8000 43 C8x C 33.7651 -25.2000 44 N5x N 34.9776 -25.9000 45 N1a N 34.9776 -21.7002 46 O2b O 45.8745 -25.6220 47 P1b P 47.2745 -25.6220 48 O1c O 47.2745 -24.2220 49 O1c O 48.6745 -25.6220 50 O2c O 47.2745 -28.8420 BOND 52 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 1 15 2 15 6 16 2 16 10 17 2 17 11 18 1 #Down 18 12 19 1 19 12 20 1 20 14 21 1 21 21 22 2 22 21 23 1 23 24 25 1 24 25 26 1 25 26 27 1 26 27 28 1 27 24 28 1 28 26 29 1 #Down 29 24 30 1 #Up 30 25 31 1 #Up 31 31 32 1 32 32 33 1 33 32 34 1 34 32 35 2 35 36 37 2 36 37 38 1 37 38 39 1 38 39 40 2 39 36 40 1 40 36 41 1 41 41 42 2 42 42 43 1 43 43 44 2 44 37 44 1 45 41 45 1 46 28 38 1 #Down 47 29 46 1 48 46 47 1 49 47 48 1 50 47 49 2 51 47 50 1 52 21 50 1 ///