PUBCHEM-ZINC03869385 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.0610 1.5220 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 0.1870 -0.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 -0.4430 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 0.3600 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 1.7210 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 2.3800 -0.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 2.2510 0.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 1.2190 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 0.0610 0.7750 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 3.6590 0.3550 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7520 4.2080 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4040 4.1410 -0.9050 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0260 5.1360 -1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8510 4.2460 -0.4780 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3620 4.9940 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7580 4.5870 1.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6480 5.6720 1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 3.9990 1.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8720 4.0710 1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0820 4.8020 1.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8740 4.9790 0.4620 P 0 0 0 0 0 0 0 0 0 0 0 0 8.1870 6.1870 -0.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4720 2.9780 -0.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4820 3.1890 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 3.2950 -2.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0690 2.7140 -1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -1.8060 0.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -2.6990 -0.1740 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8420 -2.1750 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -3.3540 -1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -2.4220 -2.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -2.2810 -2.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -3.8080 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -4.5340 1.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 1.9580 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2160 1.3640 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5200 4.1230 2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0780 3.0080 1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -2.2220 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -3.6430 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -4.2740 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3240 5.1920 0.8600 O 0 5 0 0 0 0 0 0 0 0 0 0 8.5850 3.6680 -0.2770 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1420 -1.9610 -3.3000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0960 -3.8550 1.5340 O 0 5 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 35 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 27 39 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 33 1 0 0 0 0 30 31 1 0 0 0 0 30 40 1 0 0 0 0 30 41 1 0 0 0 0 31 32 2 0 0 0 0 31 44 1 0 0 0 0 33 34 2 0 0 0 0 33 45 1 0 0 0 0 M CHG 1 42 -1 M CHG 1 43 -1 M CHG 1 44 -1 M CHG 1 45 -1 M END