PUBCHEM-ZINC06008954 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 1.0510 1.1010 2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -0.3000 2.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -0.7660 1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -2.1160 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 -2.5880 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 -1.7160 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 -0.3700 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 0.1050 1.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 -2.2330 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8740 -2.6220 1.7120 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6460 -1.7420 2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7620 -0.5930 1.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3530 -2.2560 3.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2050 -1.5890 4.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6460 -0.2320 3.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0020 0.0770 2.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4150 1.3520 2.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4800 2.3310 3.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1310 2.0400 4.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7190 0.7620 4.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7920 1.6780 0.9490 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.7350 0.8200 0.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1570 2.8050 0.6640 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.8390 -3.9510 3.6130 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 -3.8730 2.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8650 -5.1520 1.5270 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 1.3390 2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 1.6590 1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 1.3720 3.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -2.7980 1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 -3.6380 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 0.3090 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 1.1560 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6540 -1.4510 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9890 -3.0980 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5580 -2.0560 5.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9530 -0.6830 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8050 3.3280 3.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1840 2.8100 5.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3820 0.4740 6.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4480 0.6200 6.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 33 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 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 24 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 20 2 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END