PUBCHEM-ZINC03152044 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 53 0 0 1 0 0 0 0 0999 V2000 -1.5050 1.2750 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -0.2180 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 -1.0240 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 -2.4640 0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 -3.0510 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 -3.4090 1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5460 -3.9580 2.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 -3.1550 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 -2.5840 -2.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -4.6720 -0.8950 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3220 -5.1270 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 -5.0110 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -4.4770 -0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -4.8000 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 -5.3390 0.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -5.2360 -2.2710 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 -6.0060 -2.9000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -6.3260 -4.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 -7.0290 -1.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 -4.7370 -2.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9670 -3.6750 -3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9470 -2.6820 -3.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0400 -2.7450 -2.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1590 -3.8360 -2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 -4.8340 -2.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1050 -1.6890 -2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 1.8320 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 1.5250 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 1.6130 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 -0.5200 -0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -0.4310 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 -0.7320 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7470 -0.8080 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -3.9460 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -2.3310 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 -2.5310 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3760 -4.1580 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9770 -4.8620 2.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3660 -3.2190 3.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6100 -4.2140 2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 -4.6290 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -6.1040 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -4.8880 -1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -3.3850 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -4.6620 -2.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 -3.6080 -4.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8510 -1.8540 -4.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0160 -3.9140 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2900 -5.6710 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8820 -1.9700 -3.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5640 -1.5590 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6850 -0.7210 -3.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -4.4720 -0.8170 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 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 8 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 7 40 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 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 2 0 0 0 0 14 53 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 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 M CHG 1 53 -1 M END