IBS-ZINC05053760 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 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 3 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0580 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -0.1620 1.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4590 -0.0510 1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1760 -0.2840 0.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5030 -0.1870 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1360 0.1650 1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 0.4030 2.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 0.2810 2.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9370 0.7560 3.7870 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1000 1.0050 4.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9760 1.3690 6.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4570 0.3800 6.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2610 0.7140 8.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5820 2.0380 8.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1000 3.0270 7.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2930 2.6930 6.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6100 0.2850 1.5250 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.2870 -0.6850 1.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1460 1.3530 1.2880 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.2450 -0.4320 -0.8760 N 0 0 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 -2.4380 -2.4350 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -2.3340 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -2.4890 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 0.0060 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9010 0.8400 3.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 0.1060 5.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4130 1.8250 4.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2060 -0.6540 6.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6370 -0.0580 8.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2110 2.2990 9.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3520 4.0610 7.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 3.4660 5.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7970 -0.6770 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2120 -0.3600 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 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 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 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 24 1 0 0 0 0 10 11 2 0 0 0 0 10 21 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 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END