IBS-ZINC04029343 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -2.9790 -0.2100 -1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 -0.5880 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -0.9370 -2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -0.6610 -3.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -1.6030 -1.6170 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -1.9560 -0.1690 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0830 -2.7130 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -2.5370 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 -3.4310 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 -4.5890 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1810 -5.3320 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 -6.4540 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0360 -6.8390 -1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3880 -6.1170 -2.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 -4.9980 -2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 -4.1100 -3.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8300 -4.1450 -4.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 -3.1690 -2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -2.0450 -2.7030 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8100 -2.4540 -3.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -0.9360 -3.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 0.1340 -2.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 1.1250 -3.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 1.0420 -4.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4570 -0.0160 -5.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 -0.9850 -4.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -2.0470 -5.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -1.6300 -6.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0410 2.1030 -2.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 3.1500 -2.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -0.8120 0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 0.2990 0.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 0.6750 -2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3780 -1.0270 -2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 0.0140 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 0.2650 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -1.4410 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 -1.7430 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -3.0780 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1090 -5.0400 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4480 -7.0270 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6280 -7.7130 -1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4690 -6.4130 -3.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 0.2100 -1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5740 1.7780 -4.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 -0.0890 -6.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -1.0800 -5.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 -1.0270 -7.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -2.5300 -6.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0600 3.8510 -2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7850 2.7660 -3.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 3.7000 -3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -1.1350 1.9640 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 31 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 29 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 53 1 0 0 0 0 M CHG 1 53 -1 M END