NIH-ZINC06499025 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 71 0 0 1 0 0 0 0 0999 V2000 -0.0370 -1.6720 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -1.7140 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -0.1280 2.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 0.4940 2.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -0.3980 1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 1.0380 0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 1.0800 0.8050 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 1.3060 -0.4820 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4680 2.2640 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3030 1.4550 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4450 1.0920 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0660 0.9040 1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 0.6420 3.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4610 0.9290 1.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2660 1.8850 -0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9310 2.2100 -2.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6470 2.0840 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7570 1.3190 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9110 1.9180 -0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5080 2.9880 0.1530 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1500 3.5890 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1430 3.1190 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4660 4.2200 0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3000 1.5590 -0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7150 0.6350 -1.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1000 2.4340 -0.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5010 2.1860 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7030 0.1120 -1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5300 0.1780 -1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 -1.0980 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -2.1210 -2.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 -1.8930 -3.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2270 -0.6370 -3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 0.3890 -2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -0.2860 -4.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -1.2790 -5.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -1.5940 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -2.5890 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -0.8250 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 -1.8280 1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -2.5380 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 0.5730 3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -1.0700 3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 1.4240 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 -0.1770 2.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 0.7330 3.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 -0.9660 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -0.9310 1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 1.5630 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 1.6000 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7390 2.5370 -2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1200 3.8690 1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1410 5.0660 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 4.5890 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7550 1.1940 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8030 2.2820 -1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0390 2.9360 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1530 0.3280 -2.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2480 -0.7190 -1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6760 -0.2240 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8280 -1.3150 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 -3.1040 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5690 -2.7180 -3.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 1.3650 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 -1.5900 -5.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -2.1370 -4.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -0.8360 -5.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.4130 1.2400 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3070 0.3410 0.6540 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 40 1 0 0 0 0 2 41 1 0 0 0 0 2 68 1 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 3 68 1 0 0 0 0 4 44 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 6 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 5 68 1 0 0 0 0 6 7 1 0 0 0 0 6 49 1 0 0 0 0 6 50 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 32 33 2 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 34 64 1 0 0 0 0 35 36 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 68 69 1 0 0 0 0 M CHG 1 68 1 M END