IBS-ZINC04704534 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 1.0540 5.0400 -3.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 3.7310 -2.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 2.5360 -3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 1.9750 -2.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 0.8700 -3.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 0.2930 -4.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 0.8760 -5.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 1.9800 -4.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 -0.8520 -5.3520 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 -1.7700 -5.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -1.8440 -5.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 -2.7530 -6.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 -3.4090 -7.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -3.2250 -8.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -2.1620 -9.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -1.9650 -9.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -2.8240 -8.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -3.9020 -8.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -4.1050 -7.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 -2.7400 -9.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 -1.4820 -9.5050 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3760 -0.6340 -9.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 -1.5070 -11.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3920 -1.2870 -8.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1810 -2.2740 -8.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0800 -3.0440 -6.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6440 -3.9860 -7.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 -2.1370 -5.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 -1.0190 -5.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 -0.2480 -4.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 5.1220 -3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 5.1240 -4.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 5.8880 -2.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 3.6900 -1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 3.6900 -2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 2.3870 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8200 0.4580 -3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 0.5010 -6.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 2.3980 -4.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 -4.1330 -8.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 -1.4760 -9.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -1.1380 -10.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -4.5770 -7.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -4.9360 -7.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8460 -2.3650 -11.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 -0.5940 -11.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 -1.6080 -11.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 -2.2860 -5.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5850 -0.1340 -8.3590 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 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 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 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 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 M CHG 1 49 -1 M END