PUBCHEM-ZINC02765052 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 0 0 0 0 0 0999 V2000 -0.0100 1.3820 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.0080 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -0.6880 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0230 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 1.4130 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0860 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 3.5660 0.0170 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0960 4.1620 0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 4.1890 0.0160 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9450 -0.8350 -0.0050 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1620 0.5090 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5740 -0.0810 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5330 0.9790 -0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.7210 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -1.8840 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 -2.3540 -1.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -2.5980 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 -4.1200 -1.7170 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 -4.8280 -1.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0970 -6.1190 -2.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 -6.5210 -2.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 1.9110 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -1.7680 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 1.9670 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 1.1260 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 1.1210 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7140 -0.6980 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 -0.6920 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4520 0.6770 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -0.3780 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9630 -2.8480 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 -1.9520 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4010 -5.0210 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 -4.1250 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2330 -6.8230 -2.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1850 -7.6450 -3.1190 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END