PUBCHEM-ZINC04544069 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 52 0 0 1 0 0 0 0 0999 V2000 0.4900 1.6380 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 0.1620 -0.1800 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9020 -0.0220 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -0.7020 0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 -1.4050 0.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -0.6030 2.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 -1.3200 3.2060 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3620 -1.2120 3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -2.7950 3.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -0.7300 4.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 0.1270 4.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -0.3010 -1.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 -0.0720 -2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 0.6390 -2.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -0.7590 -3.9110 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3000 -0.3280 -4.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 -2.2800 -3.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -2.9290 -4.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 -4.3790 -4.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 -5.0280 -5.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 -6.3600 -5.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 -7.1390 -5.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 -6.7850 -6.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 -8.4810 -5.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -0.3740 -5.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.8280 -5.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -1.6160 -4.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 -0.2460 -6.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 1.8280 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 2.2570 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 1.9800 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 0.0050 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -2.9240 3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -3.2760 2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -3.3380 4.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -0.8360 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -2.4910 -2.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -2.7740 -3.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -2.8920 -5.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 -2.3700 -4.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -4.4130 -3.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -4.9580 -4.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 -5.1040 -6.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 -4.4410 -5.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -6.7190 -4.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 -8.8930 -4.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 -9.1740 -6.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8490 -8.3700 -4.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 0.2820 -5.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -0.4730 -7.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1970 -0.6770 -6.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 0.8380 -6.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 -1.1570 5.5870 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 53 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M CHG 1 53 -1 M END