IFLAB-ZINC04061813 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -0.3970 3.2060 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 1.8410 -0.2860 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4880 1.9900 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 0.7090 -1.2220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4830 -0.1910 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 0.3540 -2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 -0.6650 -2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 -0.7200 -3.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 0.2530 -4.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 1.2230 -3.8110 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 1.5360 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 1.7680 -1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6160 0.5690 -1.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7390 0.0900 -3.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -0.2480 -2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 1.4370 0.3440 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 0.6030 1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 0.0150 2.3640 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 0.3140 1.6020 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 -0.2670 2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 -0.4910 3.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1800 -1.0610 4.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4880 -1.3990 4.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9580 -1.1610 3.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1150 -0.5940 2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4690 -0.3110 1.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7840 -0.6700 0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -1.2240 6.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4160 -1.8040 7.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 3.5280 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 3.2120 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 3.9650 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 -1.3430 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 -1.4380 -3.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 0.4380 -5.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 0.7860 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 2.4840 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 2.5540 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 2.0940 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 0.8370 -3.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 -0.8100 -3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 -0.5930 -3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -1.0050 -1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.8090 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 0.5240 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 -0.2060 4.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1730 -1.8410 5.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9860 -1.4290 3.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8940 -0.4010 -0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9440 -1.7500 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5360 -0.1110 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7210 -2.8200 6.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 -1.8680 8.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2850 -1.1750 7.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 1.0040 -1.7670 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6470 1.7120 -2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 55 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 55 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 55 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 28 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END