CHEMBRIDGE-ZINC00656580 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -0.7730 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 -1.3670 -0.6940 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 -1.2730 0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -0.8130 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -0.6290 2.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 0.4360 3.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -1.6400 3.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -1.3870 4.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 -1.6180 1.9620 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5530 -2.0670 1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8530 -2.1680 0.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5190 -2.4320 2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7420 -2.8810 2.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7150 -3.2480 3.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9840 -3.7140 2.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8890 -4.0560 3.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5440 -3.9390 5.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2900 -3.4790 5.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3710 -3.1390 4.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5220 -4.3080 6.3580 N 0 3 0 0 0 0 0 0 0 0 0 0 -12.6270 -4.7140 6.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2210 -4.2060 7.5340 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5900 -0.5700 -2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -1.1320 5.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -2.2790 4.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -0.5580 4.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 -1.5380 2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2520 -2.3420 3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0090 -2.9710 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2550 -3.8060 1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8700 -4.4160 3.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0280 -3.3890 6.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3910 -2.7840 4.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -1.4860 -2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -0.3230 -3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.2440 -2.4950 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 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 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 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END