NIH-ZINC06552755 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 58 0 0 1 0 0 0 0 0999 V2000 -0.0230 1.5100 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.0200 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -0.4800 -1.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -1.8080 -1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -2.5600 -0.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -2.3600 -2.5530 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9480 -2.0220 -3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -1.8650 -2.5910 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4410 -2.3340 -3.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 -0.3680 -2.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0600 0.1780 -4.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 1.5500 -4.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 2.3770 -3.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8300 1.8310 -1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 0.4590 -1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 -2.2070 -1.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 -3.8240 -2.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -4.5040 -2.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -3.9030 -3.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -6.0100 -2.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -6.5270 -3.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -8.0330 -3.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -8.6330 -2.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 -8.7130 -3.8790 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 -10.1110 -3.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -10.8250 -2.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -12.2050 -2.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -12.8770 -4.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -12.1690 -4.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -10.7890 -4.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 -14.6380 -4.0530 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -15.0030 -5.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -15.0410 -3.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2490 -15.1760 -3.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 1.8900 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 1.8740 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 1.8560 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -0.3840 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3990 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -0.4680 -4.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 1.9770 -5.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 3.4500 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 2.4770 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 0.0320 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -1.8230 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 -4.3040 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -6.4020 -3.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -6.3380 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -6.1350 -2.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 -6.1990 -4.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 -8.2330 -4.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 -10.3010 -2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 -12.7600 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -12.6960 -5.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1840 -10.2370 -5.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 -16.0150 -3.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 -14.6520 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 M END