NIH-ZINC04058400 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 64 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -1.8070 -1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -2.5590 -0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -2.3520 -2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -2.6660 -3.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -3.1430 -4.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 -3.1620 -3.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 -2.6640 -2.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9910 -2.5610 -1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2420 -2.9480 -2.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4060 -3.4380 -3.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3270 -3.5510 -4.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3150 -2.8500 -1.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5780 -3.2670 -1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6570 -3.0840 -0.8810 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6510 -2.0520 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0270 -3.4130 -1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0600 -3.2380 -0.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4710 -4.2120 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0720 -5.3560 0.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5380 -3.5810 1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6110 -2.1940 0.7640 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7150 -2.0920 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5210 -1.0720 -0.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3930 -3.9600 0.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 -3.5800 -5.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -2.4100 -6.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 -2.1410 -7.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 -1.0680 -8.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0170 -0.2660 -8.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -0.5350 -8.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -1.6100 -7.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -2.5050 -4.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 -2.1800 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3870 -3.7390 -3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 -3.9310 -5.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5240 -4.3180 -2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8280 -2.6660 -2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0330 -4.4460 -1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2290 -2.7450 -2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2380 -3.6020 2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4940 -4.0870 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1930 -1.4920 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3830 -4.8970 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -4.3630 -6.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -3.9660 -6.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -2.7680 -7.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 -0.8580 -8.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 0.5730 -9.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 0.0920 -8.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 -1.8240 -6.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -1.5120 -4.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -3.2600 -4.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -2.6260 -3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 28 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 11 12 1 0 0 0 0 11 41 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 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 28 53 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 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 33 2 0 0 0 0 32 56 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 M END