NIH-ZINC04196005 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 68 0 0 0 0 0 0 0 0999 V2000 -0.1270 1.2890 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -0.1980 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -0.8460 1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -2.2300 1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -2.9780 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -2.3370 -0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -0.9550 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -0.2460 -2.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -0.9960 -3.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -0.0680 -4.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 1.1510 -4.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -0.6700 -5.8490 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 0.1660 -7.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -0.0260 -8.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -2.3400 -7.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -2.1010 -6.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -1.7210 -9.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -3.1030 -10.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -3.4940 -10.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -4.7840 -11.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -5.6940 -11.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 -5.3160 -10.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 -4.0280 -9.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -3.0350 3.0010 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -4.4030 2.8250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -2.1590 3.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -3.0430 3.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 -3.6840 2.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -4.1580 3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7520 -4.6100 2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 -5.2980 4.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 1.7700 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 1.5170 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 1.7300 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -0.2740 2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -4.0520 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -2.9450 -1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -1.5010 -3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 -1.7110 -3.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -0.1280 -7.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 1.2250 -6.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 0.5070 -9.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 0.3070 -7.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -2.0440 -6.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 -3.3930 -7.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -2.6710 -5.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -2.4640 -6.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 -1.4830 -9.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -0.9890 -10.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 -2.7980 -11.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -5.0800 -12.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -6.6980 -11.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3230 -6.0280 -10.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 -3.7560 -9.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -2.2570 3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 -2.9440 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -4.5300 1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 -3.3220 3.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4020 -5.4490 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6570 -4.9290 2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0290 -3.7920 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -4.9780 4.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2470 -5.6330 4.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 -6.1590 3.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -1.5050 -8.4790 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2680 -1.8150 -8.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 65 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 65 1 0 0 0 0 16 46 1 0 0 0 0 16 47 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 17 65 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 21 22 2 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 65 66 1 0 0 0 0 M CHG 1 65 1 M END