IBS-ZINC02215031 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 63 0 0 1 0 0 0 0 0999 V2000 0.5490 1.1550 -1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -0.2360 -1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -0.8860 -0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 -0.2100 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 1.1820 -0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 1.8680 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 3.2680 -1.4830 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 4.1580 -1.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 3.8710 -2.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 5.5980 -1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 6.6040 -1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 8.0390 -2.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 8.1960 -3.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 7.1990 -3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 5.7620 -3.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 -1.0790 -0.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 -2.2670 -0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -2.1920 -0.6960 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -3.3310 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -4.6600 -0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -3.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5510 -6.0170 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 -6.7880 1.4570 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7590 -7.1600 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 -7.9150 2.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 -7.2660 3.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -6.3140 3.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 -5.8290 2.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 1.6580 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 -0.7670 -1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 1.6970 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 3.6580 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 5.7940 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 6.3750 -2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 6.5170 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 8.7220 -2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 8.3240 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 8.0490 -4.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 9.2180 -3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 7.2920 -4.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 7.4410 -2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 5.0930 -3.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 5.4660 -4.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -3.2750 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -3.2300 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -5.4930 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -4.8210 -1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 -3.8970 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 -3.4680 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5260 -5.8240 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 -6.5200 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6390 -8.7200 2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 -8.3500 1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 -7.9780 4.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 -6.7020 3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -6.8300 4.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 -5.4720 4.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 -4.6600 0.2540 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4690 -4.4710 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 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 18 1 0 0 0 0 4 5 2 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 32 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 15 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 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 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 58 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 28 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END