IBS-ZINC00554202 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 35 0 0 1 0 0 0 0 0999 V2000 -0.2570 1.6710 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 0.1560 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4770 -1.1670 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3200 -0.1940 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -2.0130 -1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -2.6740 -1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -4.1960 -1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -4.8140 -1.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -4.7440 -1.9410 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -6.1120 -2.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -7.1560 -1.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -8.4910 -1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -8.8010 -2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 -7.7600 -2.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 -6.4210 -2.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9760 -8.0730 -3.2720 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.2790 -9.2670 -3.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7210 -7.1240 -3.5560 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1860 -0.0120 -1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 0.0250 0.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 2.1520 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 1.9490 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 2.0730 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -0.0880 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -0.2510 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 -2.3990 -1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -2.3180 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -2.3830 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -2.3450 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 -4.0850 -2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -6.9650 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -9.2880 -1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 -9.8450 -2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 -5.6170 -2.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 0.2810 -2.1990 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 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 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 35 -1 M END