IBS-ZINC04994537 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 -2.5580 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 -3.9040 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1890 -4.4650 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3050 -5.8420 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 -6.5840 -0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -6.0230 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -4.7060 -0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -6.8310 -0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -6.0260 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 -6.9570 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 -7.8630 -1.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -8.6640 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -7.7500 -1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6640 -6.4920 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3940 -3.6040 0.0350 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.8990 -3.2440 -1.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8790 -3.2560 1.0960 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 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -5.4240 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -5.3710 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 -6.3660 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -7.5200 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -9.3080 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -9.2770 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 -8.3550 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -7.1760 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0020 -6.6440 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 -7.4550 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3710 -5.8490 0.5460 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 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 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