PUBCHEM-ZINC03873034 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 47 0 0 1 0 0 0 0 0999 V2000 0.2000 1.5460 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 0.0150 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -0.4910 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -0.5610 0.0900 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1990 -1.6510 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 0.0160 1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9770 0.8100 0.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -0.3230 -1.1490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -0.9610 -2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -1.8350 -2.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 -0.4680 -3.4870 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7480 -0.3690 -3.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 0.8660 -4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 1.8520 -4.9450 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 0.8150 -5.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6890 -1.5300 -4.5010 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 -1.6670 -5.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 -0.9240 -5.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -2.8390 -6.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 -2.7470 -7.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 -3.9060 -8.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4970 -3.7630 -10.0250 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2610 -2.8120 -10.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 -4.9250 -10.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2800 -5.4240 -11.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 1.9070 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 1.9280 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 1.9880 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -0.3380 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 -1.5830 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 -0.2030 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -0.0740 2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 0.3700 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 1.5020 -3.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 0.6920 -4.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 -2.2000 -4.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 -2.8500 -6.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 -3.7620 -5.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 -2.7350 -7.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 -1.7950 -8.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 -3.9520 -8.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 -4.8560 -8.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -0.3830 2.4510 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.9720 -5.1940 -11.2350 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.0030 -3.7880 -9.8500 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.4820 -2.9330 -10.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3320 -4.1450 -8.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2270 -4.5480 -10.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 43 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 36 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 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 45 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 M CHG 1 43 -1 M CHG 1 44 -1 M CHG 1 45 1 M END