ENTRY C00746 Compound ATOM 69 1 C8x C 17.5700 -10.0800 2 C8y C 17.5700 -11.4800 3 C8x C 18.7600 -12.1800 4 C8x C 20.0200 -11.4800 5 C8y C 20.0200 -10.0800 6 C8x C 18.7600 -9.3800 7 O1a O 16.3800 -12.1800 8 C1b C 21.2100 -9.3800 9 C1y C 22.9600 -10.0800 10 C5x C 24.1500 -9.3800 11 N1x N 22.9600 -11.4800 12 N1x N 25.3400 -10.0800 13 O5x O 24.1500 -7.9800 14 C5x C 21.7700 -12.1800 15 C1y C 21.7700 -13.5800 16 O5x O 20.5800 -11.4800 17 N1a N 20.5800 -14.2800 18 C1x C 22.9600 -14.2800 19 S3x S 22.9600 -15.6800 20 S3x S 24.1500 -16.3800 21 C1x C 25.3400 -15.6800 22 C1y C 26.5300 -16.3800 23 N1x N 27.7200 -15.6800 24 C5a C 26.5300 -17.7800 25 O5a O 25.3400 -18.4800 26 N1y N 27.7200 -18.4800 27 C1y C 27.7200 -19.8800 28 C1x C 29.0500 -20.3000 29 C1x C 29.8900 -19.1800 30 C1x C 29.0500 -18.0600 31 C5a C 26.6000 -20.7200 32 N1b N 25.3400 -20.1600 33 O5a O 26.6000 -22.1200 34 C5a C 22.9600 -20.1600 35 C1c C 24.1500 -20.8600 36 C1b C 24.1500 -22.2600 37 C1c C 22.9600 -22.9600 38 C1a C 21.7700 -22.2600 39 C1a C 22.9600 -24.3600 40 N1b N 21.7700 -20.8600 41 O5a O 22.9600 -18.7600 42 C1b C 20.5800 -20.1600 43 C5a C 19.3900 -20.8600 44 N1a N 18.2000 -20.1600 45 O5a O 19.3900 -22.2600 46 C5x C 27.7200 -14.2800 47 O5x O 26.5300 -13.5800 48 C1y C 28.9100 -13.5800 49 N1x N 28.9100 -12.1800 50 C5x C 30.1000 -11.4800 51 O5x O 31.3600 -12.1800 52 C1y C 30.1000 -10.0800 53 N1x N 28.9100 -9.3800 54 C5x C 27.7200 -10.0800 55 C1y C 26.5300 -9.3800 56 O5x O 27.7200 -11.4800 57 C1c C 26.5300 -7.9800 58 C1b C 27.7200 -7.2800 59 C1a C 28.9100 -7.9800 60 C1a C 25.3400 -7.2800 61 C1b C 30.1700 -14.2800 62 C1b C 31.2900 -9.3800 63 C1b C 32.5500 -10.0800 64 C5a C 33.7400 -9.3100 65 N1a N 34.9300 -10.0100 66 O5a O 33.7400 -7.9100 67 C5a C 30.1700 -15.6800 68 N1a N 31.3600 -16.3800 69 O5a O 28.9800 -16.3800 BOND 71 1 1 2 2 2 2 3 1 3 3 4 2 4 4 5 1 5 5 6 2 6 1 6 1 7 2 7 1 8 5 8 1 9 9 8 1 #Up 10 9 10 1 11 9 11 1 12 10 12 1 13 10 13 2 14 11 14 1 15 14 15 1 16 14 16 2 17 15 17 1 #Down 18 15 18 1 19 18 19 1 20 19 20 1 21 20 21 1 22 21 22 1 23 22 23 1 24 22 24 1 #Down 25 24 25 2 26 24 26 1 27 26 27 1 28 27 28 1 #Up 29 28 29 1 30 29 30 1 31 26 30 1 32 27 31 1 33 31 32 1 34 31 33 2 35 34 35 1 36 35 32 1 37 35 36 1 #Up 38 36 37 1 39 37 38 1 40 37 39 1 41 34 40 1 42 34 41 2 43 40 42 1 44 42 43 1 45 43 44 1 46 43 45 2 47 23 46 1 48 46 47 2 49 46 48 1 50 48 49 1 51 49 50 1 52 50 51 2 53 50 52 1 54 52 53 1 55 53 54 1 56 55 54 1 #Up 57 55 12 1 58 54 56 2 59 55 57 1 60 57 58 1 61 58 59 1 62 57 60 1 #Up 63 48 61 1 #Up 64 52 62 1 #Up 65 62 63 1 66 63 64 1 67 64 65 1 68 64 66 2 69 61 67 1 70 67 68 1 71 67 69 2 ///