PUBCHEM-ZINC05797737 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 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 0.0240 -0.7430 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6940 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 0.0100 -2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -0.6680 -3.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -2.0660 -3.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.7700 -2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.0850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.7960 -4.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -4.0900 -4.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -4.8160 -6.1750 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0080 -4.1030 -6.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -5.6780 -6.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -4.7870 -6.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 -4.4090 -5.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 -3.5930 -5.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7150 -3.1520 -6.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0830 -3.5320 -7.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 -4.3540 -7.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -3.0640 -8.8970 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0440 -3.3980 -9.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5810 -2.3430 -8.9400 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2090 -5.6990 -6.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -5.7200 -5.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -6.4620 -7.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 -7.2880 -7.3320 C 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 0.0220 -0.0400 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -1.3820 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -1.3580 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 1.0900 -2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -0.1210 -4.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -3.8500 -2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -2.6280 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -2.2510 -5.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -6.3290 -5.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -6.2840 -7.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 -4.7520 -4.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 -3.2980 -4.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 -4.6540 -8.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 -7.8520 -8.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 -7.9780 -6.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 -6.6520 -7.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -2.3490 -6.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 -2.8280 -6.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 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 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 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 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END