IFLAB-ZINC04519340 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4100 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -0.3760 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 0.7310 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -1.7950 -0.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9590 -2.4840 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 -2.0380 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 -3.4170 1.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 -3.8590 2.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 -3.1140 3.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4460 -5.2510 2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2610 -5.7120 3.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7230 -7.0120 3.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -7.8570 2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5740 -7.4060 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -6.1110 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8810 -9.2500 2.1580 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5920 -9.6500 3.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5820 -9.9970 1.2440 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7980 -2.0680 -1.5160 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8620 -1.1290 -1.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -3.4560 -1.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -1.6140 -2.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -0.3910 -3.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -0.2730 -4.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -1.4000 -4.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -2.7060 -3.6880 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 2.0410 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -0.6590 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 2.8430 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5110 -1.3490 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 -1.8740 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 -4.0110 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 -5.0530 4.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3540 -7.3700 4.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -8.0710 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -5.7610 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 0.4440 -3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 0.6610 -4.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -1.4960 -5.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 27 2 0 0 0 0 26 40 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END