IBS-ZINC04044584 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 55 0 0 1 0 0 0 0 0999 V2000 0.1980 1.7190 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 0.4130 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -0.3740 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -1.4290 1.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5340 -2.0460 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -2.2940 0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 -3.0020 0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3790 -2.0790 2.2990 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3700 -1.6570 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 -3.4150 3.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 -3.1500 4.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2580 -4.0680 5.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6960 -5.3930 5.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 -5.9670 6.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1700 -5.2770 7.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7420 -3.9650 7.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2800 -3.3560 6.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 -2.1040 6.4770 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -1.4020 7.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 -1.9890 5.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 -0.7550 4.4700 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6790 0.0250 4.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 -1.1510 3.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 -0.7630 2.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 0.2620 2.9620 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 -0.2590 5.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -1.0760 5.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -0.6260 6.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 0.6480 6.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 1.4720 6.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 1.0110 5.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 2.6620 7.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 2.4100 7.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 1.3220 7.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 2.2320 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 2.2840 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -0.1000 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -0.8660 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.2990 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -3.9790 2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 -3.9890 2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6810 -5.9390 4.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4930 -6.9900 6.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 -5.7800 8.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7650 -3.4380 8.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -2.0690 4.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -1.2660 6.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 1.6460 5.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 2.1150 8.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 3.2890 7.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 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 6 1 0 0 0 0 4 24 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 20 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 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 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 48 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 49 1 0 0 0 0 33 50 1 0 0 0 0 M END