PUBCHEM-ZINC04306052 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 2.2660 0.8730 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -0.1100 0.4640 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3520 0.4340 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -1.1410 1.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -2.1560 0.9280 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3460 -2.9170 1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 -2.8150 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -1.7870 -1.2840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 -0.8280 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -2.3620 -2.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -2.1750 -3.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -2.7710 -4.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 -3.4960 -4.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -3.6530 -3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -3.0960 -2.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0620 -4.4140 -3.5170 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 -4.9390 -4.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6470 -5.8220 -4.7400 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4320 -6.6800 -4.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7160 -5.0610 -4.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4200 -4.5360 -2.8730 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2270 -5.3570 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1810 -3.6400 -2.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6100 -3.7150 -2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0520 -6.3070 -6.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -2.6120 -6.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -1.3610 -3.7030 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5030 -0.1630 -3.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -1.8890 -3.5340 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3910 -1.4390 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 0.3290 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 1.6060 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 1.3830 1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -1.6580 1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -0.6380 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -3.3380 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -3.5280 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -0.0970 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 -1.3600 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 -5.5300 -5.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -4.1100 -5.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3930 -2.7900 -3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9180 -3.2830 -1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8020 -2.8930 -3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3840 -3.3150 -1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4920 -4.3530 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 -5.4480 -6.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9390 -6.9350 -6.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2350 -6.8830 -6.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -2.0830 -6.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -3.0310 -6.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -0.6780 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 -2.1610 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -0.9660 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 30 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END