IBS-ZINC02237915 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 -0.6710 1.5360 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 0.0530 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -0.8160 1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -2.1390 0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -1.9350 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -0.6210 -0.8450 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -0.0310 -2.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.8840 -2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 1.4680 -3.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 1.1400 -4.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 0.2200 -3.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 -0.3640 -2.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 1.7630 -5.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 2.5630 -6.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -2.9960 -1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -3.3710 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 -3.3790 2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 -2.1560 3.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 -1.1860 3.5900 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -4.6420 3.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -5.6820 2.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -4.6500 4.5090 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 -5.8620 5.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 -6.0840 5.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -7.2790 6.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -8.2580 6.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -8.0380 5.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -6.8400 5.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -9.4350 7.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -10.3980 7.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 2.0500 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 1.9000 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 1.7300 1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.5890 2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 1.1370 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 2.1780 -4.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 -0.0350 -4.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 -1.0780 -2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -3.4080 -1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -2.5570 -2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -3.7910 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -4.3030 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -3.8160 4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -5.3220 5.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0520 -7.4520 7.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -8.8000 5.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -6.6670 4.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 -10.6670 6.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -11.2880 7.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -9.9740 7.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0710 1.4460 -6.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 1.8800 -7.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 4 5 2 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 51 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 3 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 43 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 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 51 52 1 0 0 0 0 M END