PUBCHEM-ZINC02949214 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -0.6500 2.1380 -1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 0.3410 -1.3340 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 -0.1270 -0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 -1.6390 -1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 -2.0330 -0.8020 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6450 -1.4530 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 -3.5020 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 -4.2460 -0.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 -1.7630 0.6100 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 -1.7440 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5110 -1.5420 1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4210 -1.5660 0.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7920 -1.2710 2.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0630 -1.0480 2.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3640 -0.9160 4.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5230 -0.2540 4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7980 -0.1340 6.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9290 -0.6650 6.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7800 -1.3210 6.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4940 -1.4550 5.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2310 -0.5300 8.4170 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.2420 0.0470 8.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4690 -0.9960 9.2450 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.7460 -1.2420 3.3600 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 -2.3190 3.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1940 -3.3460 2.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 -2.2530 4.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 -3.2310 4.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -2.7460 5.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -1.5100 5.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 -1.2140 5.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 2.5350 -1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 2.5960 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 2.3640 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 0.1560 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 0.3880 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 -1.9220 -2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -2.1530 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8570 -0.9690 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2020 0.1610 3.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6930 0.3760 6.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1060 -1.7320 7.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5990 -1.9710 4.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5940 -0.4480 3.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -4.1910 4.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -3.2640 5.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -0.8650 6.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 -3.9830 -2.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 -4.9310 -2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 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 48 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 39 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 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 21 1 0 0 0 0 19 20 1 0 0 0 0 19 42 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 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 30 2 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END