NIH-ZINC06576753 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 0 0 0 0 0999 V2000 -0.2500 1.1490 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -0.2270 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -0.8930 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 -0.1790 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 1.1980 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 1.8600 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 -0.9250 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 -2.0670 -0.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 -0.2340 0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8330 -0.6920 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9180 0.1460 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1870 -0.3300 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4880 -1.5170 -0.6900 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3740 -2.2390 -0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0850 -1.9030 -0.6980 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0390 0.6720 0.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2570 1.6900 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9690 1.4120 0.6930 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4910 0.6480 0.1730 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7390 -0.1210 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3370 0.4190 1.4530 C 0 0 3 0 0 0 0 0 0 0 0 0 12.2990 0.0300 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6390 1.8590 1.8750 C 0 0 3 0 0 0 0 0 0 0 0 0 12.5000 1.9540 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8140 2.5760 0.5440 C 0 0 3 0 0 0 0 0 0 0 0 0 11.4860 3.6190 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9310 1.9150 -0.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2520 2.5090 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3830 3.4390 -1.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6510 3.6520 -1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6660 3.1420 -1.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6580 4.5930 -2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8630 4.7870 -3.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9210 5.6670 -4.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7770 6.3580 -4.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5760 6.1730 -4.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5150 5.2940 -3.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5740 2.4430 2.5010 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7190 -0.2600 2.4020 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1720 1.6670 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 -0.7800 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -1.9670 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 1.7700 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 2.9300 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 0.6880 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5320 -3.2180 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6820 2.6070 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9530 2.7930 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4920 1.5090 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7620 4.2530 -3.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8570 5.8120 -4.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8230 7.0430 -5.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6850 6.7140 -4.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5670 5.1690 -2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 40 1 0 0 0 0 2 3 2 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 6 44 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 50 1 0 0 0 0 34 35 1 0 0 0 0 34 51 1 0 0 0 0 35 36 2 0 0 0 0 35 52 1 0 0 0 0 36 37 1 0 0 0 0 36 53 1 0 0 0 0 37 54 1 0 0 0 0 M CHG 1 39 -1 M END