PUBCHEM-ZINC06022447 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 1.7150 -0.1800 2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -1.5840 1.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 -2.4930 1.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -1.7630 1.5290 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -3.0350 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 -2.6790 0.9180 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8300 -3.2470 1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 -1.2300 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -0.7460 1.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -0.4280 1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2800 0.8890 1.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 1.6720 2.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 1.1780 1.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7710 -0.1520 1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 -0.9470 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7840 3.3330 2.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1800 1.4130 1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7550 -4.0910 -1.0050 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9050 -4.7400 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9740 -4.1000 -2.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 -3.8280 -3.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -4.7900 -3.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -4.2300 -4.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -4.6960 -4.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -2.9480 -4.4610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -2.3180 -5.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -2.6750 -3.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -1.7180 -4.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 -4.6610 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1520 -4.2800 -0.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 -0.1480 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.5070 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 0.1330 2.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -3.5010 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -3.6980 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 1.3260 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 2.6880 2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7180 -0.6180 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7540 -1.9650 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1850 3.9450 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3510 3.3780 3.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7730 3.8010 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4010 0.5470 2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2520 1.1220 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9740 2.1460 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 -5.0790 -2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -3.3650 -2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 -2.7080 -0.5080 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 -2.2990 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 -5.4370 0.6380 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.8600 1.9540 1.9480 N 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 48 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 10 15 2 0 0 0 0 11 12 2 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 13 14 2 0 0 0 0 13 51 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 51 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 18 48 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 27 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 50 -1 M END