IFLAB-ZINC00081697 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 0 0 0 0 0 0 0 0999 V2000 0.4030 1.1690 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -0.2420 -0.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -0.7010 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 0.0840 2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -0.5170 3.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -1.9090 3.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -2.6960 2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -2.0920 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -4.4750 2.4110 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -4.9190 3.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -4.9510 1.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 -4.8570 2.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9110 -4.3640 3.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 -5.1350 2.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3130 -4.6280 3.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0870 -3.5540 4.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 -2.5260 4.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 -1.8580 5.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 1.6170 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 1.3680 -1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 1.6260 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 1.1680 2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 0.1300 4.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -2.6970 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 -4.9400 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0720 -3.3000 2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -4.4940 4.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0340 -6.2030 2.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5200 -5.0300 1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2530 -2.5880 6.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 -1.4740 4.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 -1.0570 6.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3480 -5.3540 3.7060 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 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 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 17 18 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 M CHG 1 33 -1 M END