IBS-ZINC04042899 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 -0.0390 1.5280 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 0.0210 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -0.5610 -0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -0.7140 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -2.0650 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -2.4180 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2150 -3.5500 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -1.2990 0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6130 -0.1470 0.0310 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7900 0.4630 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 0.6770 1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 2.0570 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.8150 2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 2.1900 3.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 0.8040 3.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 0.0520 2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 2.9540 4.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 4.4060 4.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 2.3030 5.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 -1.2410 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4720 -1.2260 1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0000 -1.1650 1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4860 -1.1500 2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0150 -1.0890 3.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4940 -1.0740 4.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6940 -1.1080 5.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -2.9470 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 1.9150 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 1.8830 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8760 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 2.5420 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 3.8930 2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 0.3150 4.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 -1.0260 2.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1110 4.8870 4.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 4.7580 5.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 4.6530 3.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 1.2220 5.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 2.5660 6.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 2.6360 6.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3220 -0.3360 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3920 -2.1140 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1360 -2.1310 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0650 -0.3520 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3360 -0.2600 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4070 -2.0380 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1500 -2.0550 3.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0800 -0.2760 3.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3510 -0.1840 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4220 -1.9620 2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -3.8730 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8080 -1.0220 4.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0670 -1.0140 5.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 9 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 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 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 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 27 51 1 0 0 0 0 52 53 1 0 0 0 0 M END