IFLAB-ZINC01218079 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 0.8230 -2.5510 -0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -1.5740 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -1.8100 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 -2.7140 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 -2.9360 1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 -2.2450 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 -1.3330 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 -1.1190 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5270 -2.4760 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1880 -2.6610 1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6690 -2.5050 2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 -2.1740 2.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5440 -2.7530 3.6750 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7920 -3.1130 3.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0620 -3.4720 4.4430 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.8810 -3.1390 1.5840 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.1500 -2.6340 5.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4120 -1.2060 5.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0070 -1.0840 7.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5540 -2.0440 7.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1480 0.0930 7.6530 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6610 0.2420 8.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 -0.4290 9.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 -0.2820 10.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 0.5360 11.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8480 1.2060 11.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3250 1.0640 9.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2260 0.6800 12.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -2.3810 -0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -3.5740 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -2.3950 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 -1.7310 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.5520 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -3.2460 1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6880 -3.6410 1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 -0.7960 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 -0.4120 -1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0670 -2.4980 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7320 -3.3330 5.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 -2.8630 5.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8300 -0.5070 4.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4720 -0.9760 5.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5860 0.8370 7.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 -1.0670 8.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -0.8040 10.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3680 1.8420 11.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2180 1.5900 9.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 1.4090 12.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 M END