IBS-ZINC02137086 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0210 1.4080 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.0200 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -0.6310 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 0.1300 2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -0.4930 3.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -1.8790 3.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -2.6410 2.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -2.0180 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -2.7660 0.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -3.1010 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -3.9980 2.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -4.5710 3.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 0.2760 4.1240 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 -0.1650 5.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -1.2690 5.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 0.6820 6.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 0.2400 7.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 1.0920 8.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 2.3620 8.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4220 3.1580 9.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 2.7050 10.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 1.4400 11.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 0.6380 10.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 1.2380 12.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 2.5460 13.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 3.2910 12.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 1.7940 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 1.7660 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 1.7550 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 1.2080 2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 -2.3630 3.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -2.1870 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 -3.6740 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -3.6970 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 -4.2270 3.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -4.2650 4.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -5.6580 3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 1.1270 3.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 1.6620 6.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 -0.7400 7.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 2.7170 7.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 4.1370 9.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -0.3390 10.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 2.9930 13.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 2.4900 13.9540 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M END