PUBCHEM-ZINC05490764 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 -0.5790 1.4280 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -0.0450 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -0.7460 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -2.0950 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -2.7610 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -2.0610 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.6990 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.0050 -2.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -0.4860 -3.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 0.1980 -4.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -0.3150 -5.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 0.3300 -7.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 1.4860 -7.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 2.0070 -6.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 1.3710 -4.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 3.1420 -6.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 3.7450 -7.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -0.2170 -8.1910 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6590 -1.2340 -8.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 0.3510 -9.2680 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6430 -4.2060 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -4.9920 1.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -4.7060 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 -6.2700 0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -7.4770 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 -8.6060 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 -8.5460 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -7.3680 -1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -6.2090 -0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -4.9280 -1.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 2.0000 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.6960 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 1.6540 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 -0.2360 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -2.6370 2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -2.5710 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -1.3870 -3.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 -1.2170 -5.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 1.9840 -8.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 3.0400 -8.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 4.0150 -7.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 4.6410 -7.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -7.5300 2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 -9.5450 1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 -9.4380 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -7.3320 -2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 1.8820 -3.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 1.5490 -3.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 30 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END