PUBCHEM-ZINC06363114 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 42 0 0 1 0 0 0 0 0999 V2000 -0.2780 1.3910 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 0.1180 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -0.6620 0.1710 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0700 -1.1460 1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 -1.7560 -0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 -1.5440 -1.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2100 0.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 0.9700 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 1.0220 2.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9830 1.7960 0.9930 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7170 1.1690 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 3.0410 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0310 3.8260 -0.6550 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 3.5940 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 2.1240 2.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 2.5270 2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 2.6570 1.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0380 2.8030 4.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4050 3.4480 4.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6440 3.7600 5.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9620 4.4850 6.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0520 5.3940 5.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1760 4.8360 7.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2990 4.3290 7.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 2.0270 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 1.8200 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -0.4580 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 0.1620 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 2.7970 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 3.7930 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8380 2.0230 3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 3.4630 4.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9710 1.8530 4.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1880 2.7790 3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4730 4.3740 3.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8190 4.3820 6.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6110 2.8310 6.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -2.7160 -0.8580 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3050 5.5030 8.0920 O 0 5 0 0 0 0 0 0 0 0 0 0 10.1310 3.5990 5.6170 N 0 3 0 0 0 0 0 0 0 0 0 0 10.7380 3.9830 4.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9050 2.6120 5.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6700 3.6510 6.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 7 8 1 0 0 0 0 7 28 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 15 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 M CHG 1 38 -1 M CHG 1 39 -1 M CHG 1 40 1 M END