PUBCHEM-ZINC03874919 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 49 0 0 1 0 0 0 0 0999 V2000 0.0220 1.3990 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 0.0590 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -0.6860 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -0.0970 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 1.2540 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 1.9960 0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 -0.8950 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 -0.9250 -1.8450 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8560 -1.7400 -1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5520 -2.1360 -2.8790 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9320 -2.8470 -3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8710 -2.8290 -2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9410 -2.2280 -2.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7140 -4.1530 -2.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7900 -5.0070 -1.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2640 -6.3810 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -6.5610 -1.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8550 -0.9890 -3.7320 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7990 -1.0630 -5.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5030 -2.0750 -5.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1220 0.2620 -5.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1290 0.1620 -7.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3610 1.5050 -7.9780 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2370 2.0250 -7.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4940 1.4070 -9.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6100 2.1850 -10.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 1.9770 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -0.4040 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 -1.7290 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3830 1.7370 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 3.0400 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 -0.4640 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 -1.9220 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4890 -1.0540 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6880 -2.6310 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8230 -4.6480 -2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5140 -5.1400 -2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2830 -4.4920 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1510 -0.1300 -3.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 0.9900 -5.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1040 0.5990 -5.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9130 -0.5430 -7.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1850 -0.2750 -7.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1200 -7.1400 -0.6780 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3740 0.6710 -10.0130 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1730 2.4210 -7.7320 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3910 3.2780 -7.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3230 1.9590 -7.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9780 2.6880 -8.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 46 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 M CHG 1 44 -1 M CHG 1 45 -1 M CHG 1 46 1 M END