IBS-ZINC01752838 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 -0.5440 1.5250 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 0.1310 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.4780 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -1.8570 0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -2.0050 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -0.7910 -1.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -3.1910 -1.4330 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3360 -4.0910 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -3.4480 -2.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 -3.8880 -1.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6930 -4.0960 -2.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 -5.3460 -2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 -5.0560 -2.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6700 -3.6860 -3.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4640 -3.2040 -3.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5370 -3.0860 -2.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3870 -1.6070 -2.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6750 -5.9520 -3.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6820 -7.1710 -3.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7130 -5.2260 -3.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8410 -6.0090 -4.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8350 -6.7070 -2.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 -4.1770 -0.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -3.1470 -3.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 -3.1400 -4.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -2.8750 -3.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -2.6820 -4.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -2.9540 -2.5120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 -2.8140 -2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1670 -4.0960 -2.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3340 -3.4600 -1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3490 -5.0470 -3.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 1.8760 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 1.6010 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 2.1920 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 0.0120 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -2.6450 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8940 -1.2770 -3.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3610 -1.1110 -2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 -1.2700 -1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2620 -6.5370 -3.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6000 -5.3300 -4.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5580 -6.7130 -5.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 -7.1600 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -7.3550 -2.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 -6.6800 -1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -4.3680 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 -1.9950 -2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 -2.5260 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 -4.8800 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 -4.4750 -3.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1680 -4.2500 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9080 -2.5120 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4010 -3.3280 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8850 -5.2370 -4.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 -5.9040 -2.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4040 -4.7970 -3.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6620 -3.8560 -2.8020 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7930 -3.0790 -3.4660 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 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 58 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 58 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END