PUBCHEM-ZINC04681025 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 0.1340 1.2350 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -0.2890 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -0.7140 -1.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -2.0510 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -2.9330 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -4.2920 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -4.7730 -1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -3.8980 -2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 -2.5360 -2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -1.6740 -3.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -2.2430 -4.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -1.1270 -5.4140 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8400 -0.3950 -4.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0220 -1.7230 -6.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 -0.6430 -7.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8120 -0.0280 -7.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 -0.2150 -8.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -0.6470 -8.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 0.7810 -9.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 0.7650 -9.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1500 1.6970 -10.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3110 2.6470 -11.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9670 2.6690 -10.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 1.7380 -9.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 3.6890 -11.4680 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1620 4.1570 -10.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2610 4.0600 -12.6130 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8640 3.6630 -12.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -0.4900 -5.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 1.6860 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 1.5460 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 1.5600 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -0.6000 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -0.7400 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -2.5600 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -4.9780 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -5.8350 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 -4.2760 -3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 -2.7860 -4.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 -2.9280 -4.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8710 -2.2840 -6.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 -2.3890 -7.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5930 -0.6170 -7.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 0.9850 -7.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9920 0.0040 -6.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3060 0.0250 -9.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1980 1.6860 -10.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 1.7530 -9.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 3.2400 -13.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2370 4.5540 -12.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8800 3.9280 -11.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 -1.0840 -6.3980 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 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 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 24 2 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 49 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 M CHG 1 25 1 M CHG 1 27 -1 M END