IBS-ZINC05163887 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -0.0200 1.2210 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -0.3050 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -0.7470 1.3010 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6920 -0.3320 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -2.2750 1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -0.2650 2.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 -0.0680 3.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 -0.3220 3.7300 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 -0.1450 4.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 0.3130 5.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 0.5680 5.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 0.3730 4.7250 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 1.0250 6.9900 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 0.0710 7.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 0.5350 8.6700 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6400 -0.1650 8.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 1.9270 8.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 2.8900 8.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5990 2.9700 8.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 2.3580 6.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 4.2700 7.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 0.5940 9.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 0.5220 7.2670 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1560 1.6050 7.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 -0.3880 8.0710 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9690 -0.4130 4.9130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 1.5610 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 1.5360 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 1.6540 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 -0.6450 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -0.7380 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -2.6890 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -2.6330 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -2.5890 2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -0.0830 2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 0.0160 6.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -0.9140 7.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 1.8770 7.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 2.2800 9.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 3.0340 6.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 2.2920 5.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 4.6470 8.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 4.9550 7.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 4.1900 6.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 1.2950 9.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 0.9240 10.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -0.3970 9.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -0.7320 4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -0.2810 5.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END