PUBCHEM-ZINC02187199 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 0.0080 1.3710 0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -0.1490 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -0.5320 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -1.9520 -0.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -2.4600 -2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -1.6120 -2.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 -2.1310 -3.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -3.4960 -4.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 -4.3500 -3.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 -3.8370 -2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -4.6990 -1.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -6.1850 -1.0210 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -6.7500 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -6.8190 -2.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 -5.9110 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -5.7710 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3810 -5.5570 1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5220 -5.4820 0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4220 -5.6230 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 -5.8430 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7680 -5.2650 1.4930 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 -4.0450 -5.3420 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2180 -3.2950 -6.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 -5.2480 -5.5350 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0350 1.7110 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 1.8410 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 1.6430 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -0.6200 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -0.4900 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -0.0610 -1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 -0.1910 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -0.5450 -2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 -1.4680 -4.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -5.4160 -3.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.4260 -0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -5.8290 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4550 -5.4470 2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3080 -5.5660 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 -5.9580 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8370 -5.1660 2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5650 -5.2130 0.9420 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 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 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 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END