NIH-ZINC04039270 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 63 0 0 1 0 0 0 0 0999 V2000 -1.2310 1.1130 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -0.1640 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -0.8530 1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -1.9700 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -1.9750 -0.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -2.6470 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -0.8760 -0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 -0.5310 -2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 0.4690 -2.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -1.3240 -3.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -0.9210 -4.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -3.0030 1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -0.4600 2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -0.5540 3.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -1.1520 2.8700 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7790 -0.6070 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4330 -1.0200 3.9450 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 -0.4220 4.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -0.1700 6.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -0.1210 4.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 0.4140 5.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8270 -1.4660 3.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 -2.9120 4.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4920 -4.6500 4.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9700 -5.0490 4.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4100 -5.0930 3.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2580 -3.8520 2.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7830 -3.4410 2.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -2.6060 2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -3.1150 1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -4.4820 1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -5.0820 2.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -3.8890 3.7020 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -0.0080 3.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 1.9660 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 1.1300 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 1.1670 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -1.6430 -5.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 -0.8810 -4.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 0.0640 -4.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -3.8390 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 -3.3590 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -2.5560 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4430 -0.8260 4.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1790 -1.4100 2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3060 -3.5520 3.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5700 -2.9680 5.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1670 -4.5600 6.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8960 -5.4110 4.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0930 -6.0320 5.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5600 -4.3170 5.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5900 -3.9690 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8560 -3.0840 3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1910 -4.1820 2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6700 -2.4680 2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -2.5080 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 -5.0220 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 -6.1390 2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 0.2260 4.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3200 -3.3590 4.3080 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 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 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 20 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 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 60 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 34 59 1 0 0 0 0 M END