PUBCHEM-ZINC05342470 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -0.7190 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -0.7160 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 -0.0540 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5830 -0.7960 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 -2.1160 0.0250 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4020 -2.7790 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -2.1110 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 -2.8650 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2540 -3.1190 -1.4050 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4560 -3.6170 -1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5000 -4.0080 -1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8640 -4.3490 -2.7760 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.3530 -5.4360 -3.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6680 -5.7930 -4.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5420 -4.9860 -5.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0600 -3.8440 -4.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6960 -3.5620 -3.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9100 -5.3300 -6.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7820 -4.5130 -7.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1200 -4.8390 -8.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5950 -5.9740 -9.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7280 -6.7880 -8.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3790 -6.4700 -7.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5610 -1.8740 -2.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -0.9020 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -1.6700 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -0.1170 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 1.0250 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 -0.2920 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -3.8590 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -2.6600 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6530 -3.8180 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5640 -2.2890 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2920 -4.9210 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3250 -3.4730 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6790 -6.0540 -2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2460 -6.6840 -5.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7390 -3.1930 -5.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0940 -2.6840 -2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1940 -3.6270 -7.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7970 -4.2060 -9.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8620 -6.2250 -10.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3200 -7.6730 -9.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6990 -7.1040 -6.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2650 -1.3750 -1.5980 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 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 M CHG 1 7 1 M CHG 1 14 1 M END