NIH-ZINC06577529 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 58 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3830 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 1.2010 -0.6860 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 0.0190 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.4220 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 2.0990 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 1.8320 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 0.7830 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 -0.3520 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6120 -1.5270 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0360 -0.9450 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8380 0.5090 -0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8210 1.4310 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9820 1.0800 -0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4780 2.8980 -0.0440 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8760 3.1440 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7010 3.2460 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2640 4.6410 1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7470 4.5050 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7100 3.7000 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8630 3.6980 -1.2330 S 0 0 0 0 0 0 0 0 0 0 0 0 10.0700 4.1340 -0.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7400 2.4540 -1.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4160 4.9430 -2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2120 6.0330 -2.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8760 7.0300 -3.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7410 6.9410 -4.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8960 5.8290 -4.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2380 4.8120 -3.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4400 3.7500 -3.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3400 3.6220 -3.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 4.5820 -4.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 5.6990 -4.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5530 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -1.7660 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 3.1780 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4560 -2.1310 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 -2.1220 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5820 -1.2600 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5650 -1.2510 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 3.3030 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9100 2.5190 2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 5.4300 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1820 4.8160 2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1760 5.4870 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3190 3.9900 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1170 6.1280 -1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5260 7.8850 -3.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4920 7.7200 -4.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7210 2.7490 -3.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0390 4.4490 -5.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4260 6.4540 -5.5460 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 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 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 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 M END