IFLAB-ZINC04275699 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -1.8460 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -2.5740 -0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -2.4240 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 -1.6330 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 -2.3680 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 -4.0790 0.0260 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1110 -3.7740 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -4.7540 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -6.0550 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -6.3690 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -7.1010 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 -8.4500 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -9.4210 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -9.0600 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -7.7240 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -6.7430 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -10.1070 -0.1100 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2500 -11.2830 -0.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -9.7920 -0.1200 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0810 -0.5530 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1810 -1.9690 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -4.5030 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -8.7330 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -10.4650 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 -7.4490 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -5.7010 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 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 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END