IBS-ZINC04041733 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.4260 0.7570 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 0.9380 2.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 2.9410 1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 3.6280 2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 5.0560 2.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 6.0780 1.5610 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4800 5.9000 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 7.4280 2.2200 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8450 8.5860 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 9.1410 0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2840 9.2220 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3820 9.7180 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2450 10.1240 -0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 10.0450 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 9.5660 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7350 10.3920 -2.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8210 10.8880 -3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 9.0540 0.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 7.0620 3.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 7.8120 3.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 5.5750 3.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 4.9780 3.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 5.9680 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 5.9330 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 5.8700 -2.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 5.8430 -2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 5.8710 -1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 5.9180 -0.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -0.3250 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 1.0630 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 1.0660 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 1.2550 2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -0.1520 2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 1.3560 3.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 3.1700 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 3.2600 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 3.4720 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 3.2150 3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4260 8.9370 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3500 9.7960 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1260 10.5010 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 9.5070 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6070 10.1330 -3.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 11.8160 -3.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4420 11.1180 -4.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 7.6880 2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 5.9740 -0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 5.8570 -3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 5.8090 -3.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 5.8590 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 1.4260 1.4220 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9720 1.1300 1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 51 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 51 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 51 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END