PUBCHEM-ZINC04688084 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 4.2210 1.4050 2.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 0.0240 3.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 -0.7460 2.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 -2.1060 2.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -2.4280 3.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 -2.9650 1.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 -4.2650 1.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -4.9050 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -6.1880 1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -6.8390 2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -6.2040 3.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 -4.9180 2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 -6.8640 4.2520 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -8.1920 4.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -8.8320 3.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 -8.8710 5.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -8.1370 6.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 -8.7730 7.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3480 -10.1460 7.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 -10.8790 6.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -10.2500 5.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 -12.3380 6.0630 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6230 -12.9800 5.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7180 -12.8960 6.9320 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0850 -10.7860 8.1970 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4490 -10.2330 8.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6560 -9.7460 9.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6060 -10.5640 10.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4350 -10.6400 9.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 1.9550 2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5280 1.9540 3.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 1.2910 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4930 -0.5250 3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 0.1390 3.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -0.1960 1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -0.8600 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -2.6820 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -4.3990 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -6.6830 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 -7.8420 2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4090 -4.4240 3.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 -6.3650 5.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -7.0720 6.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5280 -8.2070 8.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -10.8200 4.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1780 -11.0070 8.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5540 -9.3970 7.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6650 -9.9750 10.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4540 -8.6780 9.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 -11.5590 10.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3060 -10.0370 11.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8450 -9.7240 9.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 -11.5050 9.7280 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 33 1 0 0 0 0 2 34 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END