IBS-ZINC05248662 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -0.3080 -0.0990 -5.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 -0.9230 -3.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -1.4550 -3.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -2.2550 -2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -2.4910 -1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -1.9640 -2.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 -1.1760 -3.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -0.7710 -3.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6170 -1.3000 -2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 -2.0940 -1.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2800 -2.9090 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 -3.0870 0.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6020 -3.6450 -0.5930 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1340 -3.9690 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2830 -5.4430 0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6890 -5.9880 1.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9400 -6.0130 -0.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5370 -5.0360 -1.2730 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3410 -5.0790 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 -5.3810 -1.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 -5.1770 -3.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 -5.4510 -4.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -5.9370 -3.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -6.1440 -1.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -5.8630 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 -7.4490 -0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4760 -7.8500 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1450 -9.7010 -0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8880 -10.1150 -1.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4500 -3.1680 1.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 -0.9440 -2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -0.0110 -5.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -0.5550 -5.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 0.9120 -5.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -1.3000 -3.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 -2.6490 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -3.0860 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 -4.7870 -3.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 -5.2770 -5.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -6.1440 -3.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -6.5110 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 -6.0130 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3330 -7.7460 -1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 -7.9600 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1940 -7.4110 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7290 -7.5140 -1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5290 -9.3690 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6610 -9.1970 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2430 -10.7840 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8250 -9.9530 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1700 -9.7570 -2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1180 -11.1780 -1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3720 -3.0410 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6460 -1.7460 -2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4200 -0.7560 -1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2260 -0.0330 -3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6800 -9.3520 -0.8360 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.3690 -9.6760 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 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 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 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 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 14 30 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 57 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 28 57 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 57 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END