IFLAB-ZINC04554440 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -8.3990 0.8270 -5.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1560 -0.4240 -5.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4820 -1.1170 -3.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2460 -2.3710 -3.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6230 -3.0130 -2.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5990 -3.9220 -2.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0750 -4.3150 -3.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0970 -4.4770 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6010 -4.0930 -0.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0840 -5.4010 -1.3360 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4850 -6.0890 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9260 -7.5760 -0.0750 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.5150 -8.1240 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4440 -7.7220 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2420 -7.1070 0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6330 -7.2620 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2010 -8.0350 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4390 -8.6370 -1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0670 -8.5000 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1890 -9.3570 -1.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5130 -9.1370 -1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5270 -8.2980 -0.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7680 -8.1000 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 -8.8130 2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 -10.1930 2.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0210 -10.3480 2.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 -9.7320 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8990 1.3060 -6.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3520 1.5500 -4.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3760 0.5830 -5.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1840 -0.1500 -4.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2130 -1.1120 -5.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4510 -1.3810 -4.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4200 -0.4250 -3.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2700 -2.1190 -3.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2910 -3.0850 -4.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9420 -2.7940 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 -5.5780 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4060 -6.0290 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7050 -5.5360 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7930 -6.4800 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2470 -6.7840 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5030 -8.9900 -1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1270 -8.6660 -2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9530 -10.1070 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 -7.0360 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 -8.5370 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 -8.7600 2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 -8.3400 3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2380 -11.4200 2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4250 -9.9020 3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2770 -10.2030 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7420 -9.8170 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2880 -8.2420 1.1680 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.6880 -7.7830 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 54 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END