NIH-ZINC04058689 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 0.5110 1.7590 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 0.2510 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -0.3590 1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 0.3210 1.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 -1.8360 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 -2.3990 2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 -3.7790 2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -4.6150 1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -4.0560 0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -2.6720 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -5.9430 1.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -6.8260 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -8.2150 1.8150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0750 -8.1810 2.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -9.2620 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -11.6280 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -12.8940 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -13.4020 1.9550 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -12.4330 3.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -11.1940 2.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -14.7540 2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -15.7320 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -17.1000 1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -17.5300 2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -16.5920 3.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 -15.2190 3.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 -17.0280 4.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -18.3620 4.8040 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -16.4010 5.7210 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 -16.7510 4.2320 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -8.6730 1.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 -7.9260 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 2.0210 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 2.1650 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 2.2480 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 0.0330 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -0.1960 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 -1.7710 2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 -4.2000 3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -4.6650 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -2.2810 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -6.5170 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -6.8350 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 -9.2630 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -9.1290 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -11.1680 -0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -11.8520 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -13.6300 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -12.6720 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -12.8510 4.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -12.1310 3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -11.4400 2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -10.4260 3.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -15.4420 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -17.8260 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -18.5970 2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -14.5070 3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -10.6100 1.4160 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0450 -10.3600 1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 58 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 58 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 24 25 2 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 31 32 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END