CHEMDIV-ZINC04937405 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.8180 1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -2.1270 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -1.9690 -0.7740 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.7980 -1.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -3.4110 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -3.4110 2.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -4.5780 0.5940 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -5.8470 1.3260 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4880 -5.7480 2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -6.2060 1.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -6.9340 0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -7.8880 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -8.8850 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -8.9280 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -7.9740 -1.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 -6.9740 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -0.4350 2.5130 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0180 -0.2920 3.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -0.2640 3.0900 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.5790 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 -6.3050 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -5.4200 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -7.1500 2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -7.8540 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 -9.6300 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -9.7070 -1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -8.0080 -2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -6.2260 -1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 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 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END