ENTRY C02331 Compound ATOM 53 1 C1b C 29.6324 -35.6300 2 C5a C 30.8449 -34.9300 3 S2a S 32.0573 -35.6300 4 C1b C 33.2697 -34.9300 5 C1b C 34.4822 -35.6300 6 N1b N 35.6946 -34.9300 7 C5a C 36.9070 -35.6300 8 C1b C 38.1195 -34.9300 9 C1b C 39.3319 -35.6300 10 N1b N 40.5444 -34.9300 11 C5a C 41.7568 -35.6300 12 C1c C 42.9692 -34.9300 13 C1d C 44.1817 -35.6300 14 C1b C 45.3941 -34.9300 15 O2b O 46.6065 -35.6300 16 O5a O 30.8449 -33.5302 17 O5a O 36.9070 -37.0299 18 O5a O 41.7568 -37.0296 19 O1a O 42.9692 -33.5300 20 C1a C 44.1817 -34.2300 21 C1a C 44.1817 -37.0300 22 P1b P 48.0065 -35.6300 23 O1c O 49.4065 -35.6300 24 O1c O 48.0065 -37.0300 25 C1y C 41.5100 -30.6600 26 C1y C 42.9100 -30.6600 27 C1y C 43.3426 -29.3285 28 O2x O 42.2100 -28.5056 29 C1y C 41.0774 -29.3285 30 C1b C 44.6622 -28.8997 31 O1a O 40.6871 -31.7926 32 O2b O 43.7329 -31.7926 33 P1b P 45.1329 -31.7926 34 O1c O 45.1329 -30.3926 35 O1c O 46.5329 -31.7926 36 O1c O 45.1329 -33.1926 37 C8y C 36.9600 -27.5100 38 C8y C 36.9600 -28.9100 39 N4y N 39.3849 -28.9100 40 C8x C 39.3849 -27.5100 41 N5x N 38.1724 -26.8100 42 C8y C 35.7476 -26.8100 43 N5x N 34.5351 -27.5100 44 C8x C 34.5351 -28.9100 45 N5x N 35.7476 -29.6100 46 N1a N 35.7476 -25.4102 47 O2b O 46.6445 -29.3320 48 P1b P 48.0445 -29.3320 49 O1c O 48.0445 -27.9320 50 O1c O 49.4445 -29.3320 51 O2c O 48.0445 -32.5520 52 C2b C 28.4033 -34.9202 53 C2a C 27.1992 -35.6153 BOND 55 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 1 55 52 53 2 ///