IBS-ZINC04019437 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -0.5080 1.8020 0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 0.4830 0.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -0.1880 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -1.4300 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -2.2160 1.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -1.7660 3.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -0.5270 3.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 0.2600 2.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 -2.5840 3.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -3.8260 4.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 -4.6430 5.4550 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4300 -3.3610 5.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0720 -2.3240 4.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9260 -1.1370 4.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -1.1130 5.3130 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5640 -3.3550 6.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -4.3480 7.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5300 -5.4420 7.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3090 -4.0030 7.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3610 -3.5450 6.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5870 -3.2230 7.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7700 -3.3630 8.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7350 -3.8260 9.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4730 -4.1560 9.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4600 -4.5990 10.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6870 -4.7230 11.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9310 -4.4020 11.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9470 -3.9570 11.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 2.4470 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 2.2180 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 1.7920 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -1.7850 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -3.1710 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -0.1550 4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 1.2180 2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 -4.3000 3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 -2.4510 6.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2360 -3.4420 5.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4000 -2.8640 6.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7390 -3.1020 9.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4700 -4.8560 9.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8910 -5.0710 12.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1110 -4.4950 13.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9130 -3.7100 11.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6280 -0.2320 3.7030 O 0 0 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 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 9 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 45 2 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 M CHG 1 15 -1 M END