PUBCHEM-ZINC04762562 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 49 0 0 1 0 0 0 0 0999 V2000 -2.7200 2.6520 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 1.2470 0.2700 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -0.0740 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 -1.4240 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -2.5970 -0.0410 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7210 -2.6080 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 -3.8860 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 -4.4380 -1.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 -2.5460 -1.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 -1.8450 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7550 -1.1780 -0.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2390 -1.9680 -2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3300 -1.0140 -2.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2350 -0.8110 -3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2260 -1.4190 -4.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2720 0.2590 -2.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1700 0.4200 -4.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.1760 1.3370 -4.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4420 2.1240 -3.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8380 1.2410 -5.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9230 2.1620 -5.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5460 1.9340 -6.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5690 0.9870 -6.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1260 0.7550 -8.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6630 1.4600 -9.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6390 2.3950 -9.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0810 2.6290 -7.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 3.5690 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 2.7460 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 2.5310 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 -0.1070 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 0.1900 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -1.3980 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -1.5950 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 -3.1290 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6440 -1.7470 -3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6550 -2.9770 -2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3960 -0.4940 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8550 -0.0380 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7760 1.2140 -2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0510 -0.1770 -4.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6670 1.9970 -4.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5580 3.1940 -5.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9310 0.4210 -6.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9190 0.0210 -8.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0950 1.2770 -10.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2740 2.9400 -9.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2740 3.3530 -7.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 -4.2240 0.8490 O 0 5 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 3 4 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 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 49 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 M CHG 1 49 -1 M END