NIH-ZINC00386207 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 1.2830 1.8080 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 0.4820 0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -0.1190 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -0.5720 -1.2160 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -1.7650 -0.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 0.1770 -2.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -1.0450 -2.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -2.2650 -1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 -2.6010 -2.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -1.7080 -3.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 -0.5200 -3.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -0.1920 -3.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4790 -1.9770 -3.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 -3.0550 -4.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 -0.9390 -3.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7040 -0.7930 -3.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4490 -1.7480 -4.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8090 -1.5360 -4.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4280 -0.3750 -4.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6900 0.5830 -3.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3210 0.3910 -3.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5230 1.4340 -2.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2710 1.1970 -2.3540 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3150 1.7430 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 2.2440 -1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 2.4930 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 0.5710 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 -1.0420 1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -0.3250 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -2.9400 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 -3.5240 -2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 0.1690 -4.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 0.7410 -3.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9570 -0.1020 -2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -2.6600 -4.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3850 -2.2810 -5.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4870 -0.2140 -4.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1830 1.4860 -3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1420 2.4480 -2.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 33 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 34 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 39 2 0 0 0 0 M CHG 1 23 -1 M END