NIH-ZINC01813680 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.1560 0.9490 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 0.9530 2.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 2.9790 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 3.5060 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 4.9230 -0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 5.9750 -0.6740 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2440 5.8350 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 7.1830 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 8.5490 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 8.8950 -1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 9.7720 -2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 10.1010 -3.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 9.5620 -4.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 8.7000 -4.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 8.3720 -2.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 8.0010 -5.5610 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 9.8150 -5.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 10.6350 -6.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 9.3570 0.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 6.8890 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8710 7.7230 1.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 5.4190 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 4.8120 1.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 5.9600 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 5.5900 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 5.5520 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 5.8830 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 6.2520 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 6.2890 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 5.8440 0.7600 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -0.1400 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 1.3930 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 1.2150 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 1.3530 2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -0.1390 2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 1.2830 3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 3.3870 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 3.2430 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 3.3460 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 2.9720 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 10.1960 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 10.7820 -3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 7.7230 -2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 11.6500 -5.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 10.1910 -5.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 10.7050 -7.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4860 7.1540 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 5.3330 -2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 5.2710 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 6.5150 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 6.5860 1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 1.4670 1.0800 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6940 1.0790 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 52 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 8 9 1 0 0 0 0 8 20 2 0 0 0 0 9 10 1 0 0 0 0 9 19 2 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 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 43 1 0 0 0 0 17 18 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END