CHEMBRIDGE-ZINC02823262 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 0.0040 1.6450 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 0.1220 -0.0860 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4510 -0.2760 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -0.4270 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -0.6930 2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 -0.1010 1.0510 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2740 0.9820 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -0.3710 -0.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -0.7160 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -0.6510 3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -0.0270 4.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 -0.4680 6.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 0.1500 7.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 -0.1320 8.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 0.4830 9.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 0.2840 10.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 -0.5410 11.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 -1.1620 10.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -0.9540 8.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.7580 12.4640 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7460 -0.1890 13.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 -1.4970 12.6090 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0350 1.9960 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 1.9800 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 2.1410 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 -1.5170 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 0.0260 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -0.4240 3.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -1.7820 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1770 -0.5330 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0100 -0.2950 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4590 -1.7970 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 -0.3710 3.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -1.7440 3.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 1.0680 4.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 -0.3010 5.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -1.5590 6.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -0.1430 6.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 1.1240 9.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 0.7760 11.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -1.8060 10.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 -1.4490 7.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -0.1340 2.4200 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1300 0.8880 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 43 1 M END