IBS-ZINC04816199 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0520 1.4210 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 0.0450 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -0.5900 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 0.1730 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 1.5530 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 2.1790 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 3.6390 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 4.1620 -1.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 4.4320 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 5.8540 -0.0900 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8340 6.3370 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 5.8970 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 4.8940 2.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 6.6710 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 7.6550 -0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 8.1180 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9940 7.4470 0.6840 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 6.5910 0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 -0.4630 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7380 -1.8520 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -2.6990 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -2.0700 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 1.8670 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -0.5330 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 2.1450 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 4.4580 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 3.9290 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 7.9320 -1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2090 8.9000 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 5.8960 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2600 -0.5360 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 0.1790 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 -2.3380 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.7650 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 -2.7870 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 -3.7130 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -2.2170 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -2.5910 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 6.9350 1.4970 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 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 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M CHG 1 39 -1 M END