IBS-ZINC04000494 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 59 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.2680 -0.7460 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 -0.0680 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 -0.7940 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6390 -2.2050 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -2.8700 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -2.1550 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -2.8110 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -2.1300 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -2.7550 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -0.7220 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -0.0170 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 0.1180 -1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3440 0.8230 -1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 1.1820 -0.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0040 1.0550 -2.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2990 1.7400 -2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8210 1.8730 -3.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6200 0.8820 -4.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0780 1.0470 -5.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7250 2.1860 -6.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9630 3.1080 -5.8960 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5150 2.9870 -4.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 -2.6320 -0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -1.5960 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0900 -0.4410 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7110 0.9300 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1860 0.7910 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8380 -0.3020 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2850 -1.6710 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 1.0110 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -3.9490 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1890 -0.5940 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 0.9740 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 0.6950 -1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 -0.8730 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6220 0.7680 -3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0050 1.1630 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1780 2.7310 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8800 0.0020 -3.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7020 0.2950 -6.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0770 2.3220 -7.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8970 3.7660 -4.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6400 1.3750 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 1.5590 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6990 1.7380 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2550 0.5200 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6170 -0.1220 -1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9170 -0.2860 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6460 -1.9280 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6080 -2.4260 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 12 2 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END