IBS-ZINC02098086 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 -0.4260 1.0580 0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -0.2900 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -0.8440 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -0.2110 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 -0.7910 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 -2.0170 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 -2.6670 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -2.0710 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -2.7810 -1.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -2.2960 -1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 -2.9380 -1.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -0.9880 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 -0.5580 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.2870 -1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4300 0.7940 -1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2560 0.4250 -0.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6840 1.7050 -2.6130 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9860 2.3450 -2.8410 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.4140 2.5760 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9040 1.4060 -3.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9770 0.7870 -2.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8130 -0.1020 -3.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5850 -0.3890 -4.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5190 0.2110 -5.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6800 1.0980 -4.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8340 3.6890 -3.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 3.8030 -4.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 -2.6180 0.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 1.8020 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 1.4630 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 0.9980 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 0.7460 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 -0.2720 1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 -3.6250 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -1.4360 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 -0.0100 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 1.1520 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -0.3020 -2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9650 2.0160 -3.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1570 0.9900 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6410 -0.5720 -3.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2370 -1.0810 -5.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3400 -0.0110 -6.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8460 1.5510 -5.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -2.0560 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7870 4.5110 -3.5010 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 12 2 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 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 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 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 28 45 1 0 0 0 0 M CHG 1 46 -1 M END