PUBCHEM-ZINC02825736 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 2.0880 1.9230 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 0.6200 0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 -0.4170 1.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -1.6590 1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -1.9030 0.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -2.5390 2.1540 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -3.9300 2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 -4.6090 3.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -5.9890 3.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -6.7010 2.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -6.0440 1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -4.6610 1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -8.4670 2.8450 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -9.0060 1.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -8.9260 3.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -8.6260 4.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -8.6730 3.7140 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3740 -8.3700 2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 -7.8450 4.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 -6.3560 4.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 -5.7110 3.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 -4.3390 3.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -3.6000 4.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -4.2320 5.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -5.6050 5.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -10.1520 3.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -10.8220 4.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1640 1.8430 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 2.7470 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 2.1610 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 0.7070 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 0.3820 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 -2.1060 2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -4.0760 3.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -6.4940 4.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -6.5900 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -4.1860 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -9.4900 4.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 -8.0910 4.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -8.0900 5.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 -6.2790 2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 -3.8470 2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -2.5340 3.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -3.6590 5.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -6.0920 6.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 -10.4930 3.4740 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 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 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 M CHG 1 46 -1 M END