IBS-ZINC04980791 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 -0.2730 1.1290 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -0.3180 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -1.0970 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -2.4170 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -2.9570 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -2.1520 -1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -0.8490 -0.9610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -2.6670 -2.3710 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -4.0440 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -4.6840 -3.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -3.8770 -4.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -2.5940 -4.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -1.8330 -3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -3.2260 2.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -4.4920 2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -4.8820 3.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 -4.0510 5.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -0.6190 2.7350 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5820 -1.3330 3.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 0.4580 3.0490 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5520 1.7360 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 1.4940 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 1.2750 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 -4.0230 -2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -4.6750 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -5.6610 -3.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -4.8440 -3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -2.0260 -5.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 -2.7320 -4.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -0.8890 -3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 -1.5880 -3.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 -4.4590 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 -5.2280 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -5.8660 3.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -4.8520 4.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 -3.2810 5.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -3.9220 6.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -5.0480 5.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -3.8850 4.0910 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8450 -2.9130 3.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -3.9220 3.5210 H 0 0 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 39 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 39 1 M END