PUBCHEM-ZINC01124180 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 -0.0200 1.4250 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.0040 -0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -0.6110 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 0.1510 -2.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -0.4680 -3.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -1.8480 -3.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -2.6160 -2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -2.0020 -1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -2.7770 -0.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -4.0260 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -4.4440 -0.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -4.8890 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -4.4120 1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -5.2220 2.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -6.5040 2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -6.9820 2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -6.1840 1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -8.3540 2.5280 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3110 -9.0620 3.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -8.7770 1.9070 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4620 0.5030 -4.4520 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -0.3240 -5.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 1.7600 -4.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 0.7930 -4.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1040 -0.1300 -4.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1870 0.6660 -5.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6660 1.8120 -4.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4950 2.7520 -4.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4040 1.9820 -3.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 1.8030 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 1.7820 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 1.7800 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 1.2290 -2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -2.3280 -4.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -3.6940 -2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -2.4150 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 -3.4120 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 -4.8550 3.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 -7.1340 3.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -6.5610 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5350 -0.6120 -3.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 -0.8850 -5.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0270 0.0110 -5.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7770 1.0730 -6.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0530 1.4060 -3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4550 2.3660 -4.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8420 3.5800 -3.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0920 3.1390 -4.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 2.6200 -3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7780 1.6760 -2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 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 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END