PUBCHEM-ZINC06379752 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 1.7590 -4.1420 2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -3.0120 2.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -3.2390 2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -4.2950 2.9950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -1.9570 2.4180 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9140 -1.4150 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -1.1070 3.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 0.2270 3.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 1.0990 5.1720 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 2.5610 4.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 -2.3460 2.2980 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -2.6360 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -2.5490 0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 -3.0880 1.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1330 -3.5530 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9110 -4.8590 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2260 -5.8740 0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0580 -4.4640 3.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3230 -3.1600 2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 -6.9460 3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2420 -6.9920 4.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4130 -6.3900 4.5630 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9420 -6.5970 5.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1650 -7.3460 6.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7250 -7.8270 5.8870 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 -3.8520 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -4.4370 3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -4.9740 1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -1.6710 4.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -0.9260 3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 0.8470 2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7850 0.0730 3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 2.2740 4.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 3.2300 5.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 3.0980 3.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 -2.4210 3.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8040 -2.7610 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3750 -3.6900 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9280 -4.6510 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0320 -5.2950 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5690 -6.8740 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 -5.8500 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9870 -4.6530 3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5280 -4.4030 4.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0840 -2.3070 3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3830 -3.0520 2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3120 -6.9730 3.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6440 -7.8040 2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9080 -6.1720 6.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3700 -7.6280 7.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6460 -5.6810 2.4250 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.6740 -5.5800 2.4610 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 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 19 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 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 51 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 51 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END