PUBCHEM-ZINC05454678 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 49 0 0 1 0 0 0 0 0999 V2000 2.3440 0.0180 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -0.7390 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.8140 -0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -0.5390 -1.3160 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6030 -0.6040 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 0.4680 -2.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 1.6450 -1.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 -0.0910 -3.4640 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 0.5940 -4.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 -0.1050 -5.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 0.4720 -6.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 0.3420 -6.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1570 1.0140 -8.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6780 0.9660 -7.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4440 1.7850 -9.3740 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1940 1.6330 -8.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1200 2.3320 -9.8570 C 0 0 3 0 0 0 0 0 0 0 0 0 10.0440 3.4230 -9.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5560 1.8440 -9.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9770 1.1790 -10.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 2.1460 -4.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 2.8070 -4.9520 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1540 -0.9800 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 0.1070 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 1.0280 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 -0.4940 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 -1.9840 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -2.7220 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -1.0920 -3.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 -1.1870 -5.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -0.0660 -7.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6970 1.5200 -7.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 0.8000 -5.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7900 -0.7180 -6.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8240 0.5080 -8.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8200 2.0570 -8.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0030 1.4780 -7.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0240 -0.0720 -7.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3140 2.0760 -7.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4340 0.5660 -8.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -0.0260 1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -1.5430 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -1.5490 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0640 2.1370 -8.4530 O 0 5 0 0 0 0 0 0 0 0 0 0 9.8090 1.9060 -11.2820 N 0 3 0 0 0 0 0 0 0 0 0 0 10.6650 1.3060 -11.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8240 2.6820 -11.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9470 1.3540 -11.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 2.5350 -4.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 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 19 1 0 0 0 0 17 45 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 21 22 1 0 0 0 0 21 49 2 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 M CHG 1 22 -1 M CHG 1 44 -1 M CHG 1 45 1 M END