ASINEX-ZINC04587444 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 24 0 0 0 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 0.0200 -0.6130 1.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7500 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.2560 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -2.9820 -2.3080 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -3.4820 -2.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -4.0700 -4.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -3.9330 -4.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -3.2770 -3.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -2.9190 -2.7460 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7550 -2.3050 -1.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 -3.2380 -3.5040 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4640 -4.7500 -5.0990 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6710 -4.8110 -4.9530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -5.2470 -6.0810 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 -0.8990 -0.4960 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 -0.4720 -1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -2.5100 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -2.5340 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -3.4180 -2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M CHG 1 14 1 M CHG 1 16 -1 M END