IBS-ZINC02130767 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -2.5930 0.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4010 -2.1610 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 -4.0940 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -4.7850 0.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 -4.6690 -1.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 -4.1160 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -6.1280 -1.3330 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1720 -6.5420 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -6.5090 -2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 -6.0620 -3.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 -4.8020 -4.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6680 -4.3920 -4.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7560 -5.2420 -4.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6890 -6.5020 -4.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5330 -6.9130 -3.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -6.6820 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -5.9340 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 -2.2210 1.2750 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9740 -2.6520 2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4900 -2.3660 3.6100 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6060 -1.6020 3.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1610 -1.2940 4.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2940 -0.5150 5.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8940 -0.0310 3.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3660 -0.3230 2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 -1.1080 2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6060 -1.4470 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 -1.0500 0.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -6.0220 -3.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 -7.5900 -2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -4.1380 -4.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7200 -3.4080 -5.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6580 -4.9210 -5.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5390 -7.1650 -4.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 -7.8990 -3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 -3.2640 2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7040 -1.6650 5.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7220 -0.2770 5.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7830 0.5780 3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8360 0.0560 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 -8.0060 -0.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -8.3140 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 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 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 54 1 0 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 54 55 1 0 0 0 0 M END