NIH-ZINC04040405 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 1 0 0 0 0 0999 V2000 -2.1840 -1.1870 0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -1.1060 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -0.8150 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -0.7560 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 -1.0590 -0.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -1.1100 -1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -1.2990 -1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -1.6720 -2.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -1.8960 -2.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -1.7420 -3.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 -2.1060 -4.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -0.4720 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -0.6200 2.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -1.5730 3.4830 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9450 -0.9740 4.7420 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7440 -1.6760 5.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -1.1660 5.8530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -2.0690 5.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -2.5170 6.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -2.4790 4.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -3.4030 3.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -0.6040 7.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 -1.4140 8.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 -1.9550 10.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -1.4470 11.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 -0.1730 11.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 0.8120 11.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 0.4330 9.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 0.3970 4.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 1.5670 4.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 2.8300 4.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 2.9440 4.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 1.7990 4.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 0.5260 4.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6470 -0.6490 4.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0190 -0.5620 3.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 0.1960 3.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8510 -0.7580 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 -2.2290 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -0.6220 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -2.1310 -5.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 -3.1020 -4.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -1.3630 -4.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 -0.6730 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 0.5790 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 -1.0970 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -0.6270 7.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 0.4420 7.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 -1.3550 7.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -2.4660 8.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -2.9010 10.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -2.0640 9.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -2.1430 12.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -1.3710 12.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 1.7650 11.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 0.9340 11.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 0.3540 9.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 1.1560 9.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 1.5060 4.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 3.7220 4.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2100 3.9280 4.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5910 1.9360 4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3950 -1.5820 3.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6090 -0.0840 4.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1390 -0.0440 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -2.1800 2.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -0.9380 9.4690 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2230 -0.8750 9.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 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 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 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 11 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 37 2 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 66 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 67 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 67 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 67 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 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 32 33 2 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 67 1 M END