NIH-ZINC04039035 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 63 0 0 1 0 0 0 0 0999 V2000 -2.8490 0.2510 4.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 -0.7760 3.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -1.0950 2.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -2.1990 2.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -2.9690 1.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -3.9880 0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -4.2630 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 -3.5240 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -2.4410 1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 -1.5830 2.4730 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -0.4710 3.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 0.9950 3.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 1.8050 2.1280 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2070 1.7080 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 3.1500 2.6440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 3.1520 3.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 4.1010 4.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 1.7390 4.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 1.3470 5.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 4.3620 1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 4.7790 2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 6.6840 2.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 8.1340 2.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 8.2610 0.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 7.8860 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 6.4230 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 1.4940 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 0.7480 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 0.4240 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 0.8630 -1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 1.5860 -0.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 1.8760 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -1.1020 3.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 1.2160 3.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 -0.0370 4.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 0.3740 4.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -2.7140 1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -4.6150 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 -5.0920 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7870 -3.7360 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 5.1550 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 4.2000 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 4.1280 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 4.7290 3.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 6.5920 3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 6.0190 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5710 8.4600 2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 8.8060 2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 8.0290 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6290 8.5570 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 5.7500 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 6.1620 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 0.4040 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -0.1610 -2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 0.6370 -2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 2.4430 1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 2.1590 6.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 6.2060 1.8950 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2890 6.8010 2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 33 2 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 2 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 32 56 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END