PUBCHEM-ZINC06098209 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 1 0 0 0 0 0999 V2000 -1.0960 1.8820 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 0.4120 0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1740 0.2430 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 0.0670 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -0.7960 -1.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 0.7200 -1.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 0.3360 -2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -0.4340 -0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 -1.2400 0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -1.3170 1.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -2.0340 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9560 -2.9350 1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 -3.3290 2.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 -3.5540 2.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -3.9240 3.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 -4.0720 5.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 -3.8510 5.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9290 -3.4750 4.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3880 -3.2330 4.0990 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.0050 -3.4540 5.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9720 -2.8130 3.1160 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.9920 -1.5430 -0.8340 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 -0.3930 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 0.5820 -2.5120 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 2.5120 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 2.0510 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 2.1310 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -0.7180 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 0.4980 -3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 0.9390 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 -3.3620 1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -3.4400 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -4.0980 3.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -4.3610 6.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 -3.9690 6.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END