IBS-ZINC05532631 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 47 0 0 0 0 0 0 0 0999 V2000 -0.0140 1.3850 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.0070 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -0.6930 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0110 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 1.4260 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 2.1000 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 2.1480 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8120 1.3820 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7190 -0.0020 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 -0.6330 -0.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 3.6170 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 4.3050 -0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 5.7050 -0.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 6.4380 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 7.8530 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 8.7520 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 10.0410 -0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 10.2560 -0.4910 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 8.5290 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 7.8260 -0.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 6.5170 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 5.8290 -0.1830 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 11.1780 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 10.6650 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0310 9.3670 -0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 8.2560 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5520 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -1.7730 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 3.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7800 1.8620 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 -0.5830 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6440 4.1250 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 6.1610 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 5.9840 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 11.5310 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 11.9950 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4580 11.4110 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 10.4720 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 9.5130 -1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 9.0900 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3330 8.0000 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 7.3770 -0.8610 H 0 0 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 22 2 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END