PUBCHEM-ZINC04535735 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 58 0 0 1 0 0 0 0 0999 V2000 -3.2100 -2.0120 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 -1.2350 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2260 0.1780 0.5950 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5900 0.6980 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5550 0.9490 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 0.1890 1.9660 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6190 -0.4660 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 1.6100 2.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 2.3200 3.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 2.0030 1.5520 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 3.2990 1.6710 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9480 4.0610 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 3.2360 2.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 3.0610 4.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 1.8100 4.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 1.6500 6.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 2.7380 6.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 3.9870 6.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 4.1480 4.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 3.6930 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 2.7150 -0.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3430 -0.2330 3.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 -1.5130 3.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9430 -2.5030 3.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3940 -1.5270 4.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6680 -2.8300 5.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7110 -2.6900 6.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0660 -2.5640 5.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0340 -2.4100 6.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6560 -2.3740 8.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3110 -2.4890 8.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3420 -2.6440 7.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -2.9530 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 -1.4410 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 -2.2600 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 -1.1440 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 -1.8170 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2820 0.4620 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4090 1.9760 0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 1.0060 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 1.4140 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 2.4200 2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 4.1500 2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 0.9510 4.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 0.6750 6.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 2.6120 7.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 4.8340 6.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 5.1240 4.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 0.4900 3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 -3.4890 4.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7510 -3.2680 5.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3720 -2.5780 4.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0810 -2.3130 6.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4100 -2.2520 8.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0170 -2.4540 9.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2960 -2.7210 7.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 4.9160 0.1780 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 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 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 57 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 31 2 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 M CHG 1 57 -1 M END