NIH-ZINC04302288 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 72 0 0 1 0 0 0 0 0999 V2000 -0.6630 -0.4300 1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 -1.5440 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -0.9260 -0.5290 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3020 -0.2620 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -0.1280 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -2.0370 -1.4000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4930 -1.6060 -2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -2.7350 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 -3.8620 -0.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 -2.1050 -0.4350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4900 -2.8090 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 -1.9880 1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -0.5660 0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 0.0950 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 -0.7040 -0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 0.2350 2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8960 -0.2810 3.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1600 1.5250 1.9450 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 2.3040 3.0840 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1320 1.9920 3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1550 2.0660 3.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6690 2.8800 4.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4120 0.5790 3.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 3.7690 2.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 4.1260 1.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -3.0030 -1.7340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -3.2750 -3.3170 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -4.2580 -3.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -1.9960 -3.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 -4.0200 -4.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -5.3960 -4.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 -5.9820 -4.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 -5.1910 -5.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 -3.8150 -5.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -3.2300 -4.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 -5.8280 -5.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 0.1630 1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 0.2090 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -0.8710 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 -2.1830 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 -2.1370 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 0.2240 -2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 -0.7670 -1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 0.7260 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 -3.7920 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 -2.9200 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 -1.9550 2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8650 -2.4500 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0670 -0.6020 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 0.1080 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1160 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -0.6470 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -0.2980 -1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0890 1.9380 1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6760 2.3780 2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1480 2.5680 5.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7390 2.7110 4.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4860 3.9390 4.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0450 0.0000 2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4820 0.4100 3.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8910 0.2670 4.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -3.4840 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -6.0140 -3.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -7.0570 -4.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -3.1970 -5.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -2.1550 -4.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 -6.0250 -7.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2780 -5.1550 -5.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6580 -6.7660 -5.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7710 4.6770 3.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5880 5.6040 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 25 2 0 0 0 0 24 70 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 70 71 1 0 0 0 0 M END