PUBCHEM-ZINC05922045 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 66 0 0 1 0 0 0 0 0999 V2000 1.6610 2.1720 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 0.6990 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -0.2400 1.8580 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9670 0.0100 2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -0.1330 2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 -1.6780 1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 -2.1360 0.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 -2.3900 2.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 -3.7920 2.3870 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6020 -4.1930 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 -3.9860 1.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7380 -4.0240 3.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4060 -4.0690 4.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 -4.1170 4.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 -3.7650 6.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -3.6210 6.4570 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1680 -2.7180 7.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -3.4640 5.2610 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5190 -2.4900 4.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -4.5220 4.1450 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0880 -4.2030 3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 -4.5600 3.7060 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2760 -5.6090 3.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -5.9490 4.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -6.8180 3.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -8.2600 3.6290 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1950 -8.7000 4.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 -9.1200 2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -10.5810 2.7310 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2420 -11.0170 3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -11.4110 1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 -12.8400 1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -12.9090 3.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 -10.6000 3.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 -11.5820 3.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 -8.2490 4.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -9.1680 4.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -3.3650 5.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -4.7160 7.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 2.3880 1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 2.7880 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 2.4800 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 0.5160 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 0.4750 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 0.8560 2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -0.3160 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 -0.8720 3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 -4.9360 1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0210 -3.1860 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -3.9880 2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1850 -4.0290 5.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4230 -3.4810 6.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -6.4490 5.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -5.9020 5.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 -6.3640 2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -6.8300 2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -8.7130 1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -9.0740 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 -11.0090 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -11.4130 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -2.4740 6.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -3.2770 4.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -4.2270 6.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -5.5070 6.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 -13.7470 1.1120 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 43 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 45 1 0 0 0 0 5 46 1 0 0 0 0 5 47 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 13 2 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 51 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 36 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 34 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 2 0 0 0 0 32 65 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 38 61 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 39 64 1 0 0 0 0 M CHG 1 65 -1 M END