NIH-ZINC04058689 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 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 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 0.2870 2.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -1.9460 1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -2.4130 2.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -3.7610 2.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 -4.6650 1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -4.2070 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -2.8610 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -5.9980 2.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -6.8710 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -8.3250 1.4920 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6420 -8.4980 2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 -9.2590 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -11.5900 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -13.0240 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 -13.2460 1.6720 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -12.3050 2.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -10.8720 2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -14.5680 2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -15.4680 1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -16.7740 1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -17.1860 2.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -16.2920 3.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -14.9830 3.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 -16.7460 4.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -18.0980 5.2000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -15.9900 6.0530 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -16.5700 4.8940 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -8.5810 1.4630 O 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 -1.7120 3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 -4.1220 3.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -4.9130 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -2.5060 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -6.7000 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -6.6730 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -9.0040 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -9.1490 -0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -11.4140 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -11.4440 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -13.7240 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -13.1780 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -12.4820 3.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -12.4510 2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -10.7170 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -10.1710 2.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -15.1480 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -17.4740 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -18.2080 3.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 -14.2850 3.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8340 -8.4470 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -10.6490 0.9610 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 58 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 58 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 24 25 2 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 31 57 1 0 0 0 0 M END