CHEMBRIDGE-ZINC00468916 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0050 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0310 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4200 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0890 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 -0.8270 -0.0250 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1560 0.5180 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5680 -0.0710 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5790 1.0460 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2070 2.2010 -0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8960 0.7630 -0.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8330 1.7960 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5870 3.0250 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5140 4.0430 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6860 3.8400 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9340 2.6180 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0140 1.5940 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1890 2.4060 -1.7540 N 0 3 0 0 0 0 0 0 0 0 0 0 14.0030 3.3070 -1.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4080 1.3300 -2.2810 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -1.7610 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 1.9760 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 3.1690 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0100 1.1300 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 1.1350 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7140 -0.6830 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6970 -0.6880 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1950 -0.1570 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6720 3.1840 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3230 4.9990 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4090 4.6380 -0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2100 0.6390 -1.3520 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 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END