IBS-ZINC05450946 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 0.0150 2.0730 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 0.3830 0.4010 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -0.3680 1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -1.8590 1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 -2.5900 2.7280 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3190 -2.4070 3.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -4.1110 2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 -4.6230 2.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 -2.1870 2.9600 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 -1.0960 3.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 -0.3200 4.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2180 -0.9110 3.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7870 -0.6350 5.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0520 0.6110 5.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5980 0.4410 6.7950 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8870 1.1870 7.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7020 -0.8980 7.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 -1.6000 5.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1780 -3.0100 6.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6780 -3.6610 7.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1860 -2.9310 8.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2060 -1.5340 8.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 2.4890 1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 2.6960 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 2.0910 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 0.1530 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -0.2170 2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -2.3200 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -1.9920 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 -2.8520 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7090 -1.7920 3.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4320 -0.0760 2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8940 1.6030 5.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7820 -3.5920 5.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6670 -4.7470 7.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5710 -3.4550 9.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5990 -0.9670 9.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -4.6390 2.3650 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 M CHG 1 38 -1 M END