NIH-ZINC04195290 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 61 0 0 1 0 0 0 0 0999 V2000 0.4350 1.6190 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 0.1150 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -0.5760 -1.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 -0.7620 -1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -2.1220 -0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -0.8250 -2.4350 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -1.8600 -3.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -0.9140 -1.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 0.6940 -3.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 0.8860 -4.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 2.0440 -5.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 3.0020 -4.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 2.7910 -3.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 1.6340 -3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 4.1870 -5.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 4.3920 -6.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 4.9830 -5.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 6.0920 -6.4930 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6750 6.5200 -6.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 5.6020 -7.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7700 5.0990 -7.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6020 6.1580 -6.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 6.6750 -5.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 7.1830 -5.7850 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5640 8.0280 -6.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 7.6450 -4.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 9.0420 -2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 10.0590 -4.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 1.8920 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 2.0660 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 2.0760 0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -0.2800 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -0.1220 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -0.6890 -2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 0.0250 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -2.9290 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 -2.2750 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 -2.2110 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 0.1370 -4.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 2.1800 -5.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 3.5060 -3.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 1.4730 -2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 6.4200 -8.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 4.7880 -8.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 4.8190 -8.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7240 4.1920 -6.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7830 6.9980 -7.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5830 5.7430 -6.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5340 7.4790 -5.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8870 5.8770 -4.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 6.8240 -3.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 7.9880 -4.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 9.3610 -2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 8.1140 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 9.8180 -1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1590 9.8860 -5.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 10.3440 -4.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 10.8320 -3.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 8.7870 -3.7980 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4300 8.4960 -3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 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 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 59 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 59 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 59 60 1 0 0 0 0 M CHG 1 59 1 M END