NIH-ZINC06552403 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 58 0 0 1 0 0 0 0 0999 V2000 -0.7580 1.3680 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -0.0480 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 -0.8330 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -2.2560 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2080 -3.0410 -0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 -4.4620 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -4.9040 0.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 -5.3060 -0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 -6.6860 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7410 -7.4970 -0.6970 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.6430 -6.9300 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7430 -7.7790 -2.2080 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7220 -7.9390 -2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5640 -9.0560 -2.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8150 -9.6230 -1.0160 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.6780 -10.7090 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8050 -8.9170 -0.0940 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8250 -9.3980 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1580 -8.9350 1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3470 -10.3300 1.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5830 -11.0020 2.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3280 -10.5470 3.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4660 -10.6710 5.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 -10.3070 5.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1950 -10.5360 7.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -10.5330 7.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1650 -9.3690 -0.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3080 -8.4110 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2950 -6.6940 -2.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2380 -6.6160 -2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 1.9110 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 1.3610 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 1.9180 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -0.5600 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -0.0050 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -0.3150 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 -0.8700 -1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -2.7750 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 -2.2220 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 -2.5380 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 -3.0980 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3630 -4.7580 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 -5.4040 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 -7.2470 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 -6.5590 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4930 -8.8770 -2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9640 -9.7660 -2.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3840 -8.4060 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0850 -8.3760 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2310 -10.8450 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8960 -12.0160 3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5020 -11.1810 3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0650 -9.5170 3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2780 -10.0200 5.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 -11.6980 5.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 -10.9000 5.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 -9.2510 5.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3280 -10.7020 7.7800 O 0 5 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 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 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 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 2 0 0 0 0 25 58 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 58 -1 M END