PUBCHEM-ZINC01136768 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -4.0080 -0.1410 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6180 -1.5900 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 -2.2330 1.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 -2.1710 -0.7540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -3.4900 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 -4.4250 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -5.7240 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -6.0960 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -5.1600 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -3.8620 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -7.4130 -0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -7.6610 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -6.7440 0.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -9.0490 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -10.1170 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -11.4100 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -11.6490 0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -10.5950 1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 -9.2970 0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0890 -7.9560 1.1200 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 -7.0240 1.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 -8.5350 1.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 -7.1620 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8550 -5.8760 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 -5.2530 -1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 -5.9160 -2.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 -7.2020 -2.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 -7.8230 -1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8830 -5.2490 -4.1830 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4700 -4.1160 -4.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4560 -5.8330 -5.0860 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6400 0.1490 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 0.4770 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5550 -0.0030 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -1.6770 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -4.1360 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 -6.4520 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -5.4490 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -3.1360 -1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 -8.1470 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -9.9320 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -12.2370 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -12.6630 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 -10.7880 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 -5.3580 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 -4.2480 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6630 -7.7200 -3.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 -8.8270 -1.3030 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 14 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 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END