PUBCHEM-ZINC02100392 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3800 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 -0.6500 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.1220 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 1.4370 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 2.0730 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -2.1270 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -2.8490 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 -4.2600 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -4.2860 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -2.9790 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -2.7020 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -5.5110 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -6.6800 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -6.6500 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8040 -5.4590 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 -5.4370 -0.0680 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9080 -6.4830 -0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8780 -4.3740 -0.0680 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0440 -7.9820 -0.0400 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1740 -8.0160 -0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -9.0200 -0.0520 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9560 1.9130 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -0.5700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3700 -0.3630 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.1530 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 -2.4570 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -5.5460 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -7.5760 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 20 1 M CHG 1 22 -1 M END