NIH-ZINC01079822 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 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 3 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -1.1910 -2.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 -0.1460 -1.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 -0.6180 -2.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0910 -0.0970 -2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1190 -0.8220 -2.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 -0.3120 -2.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 0.8490 -2.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7020 1.5660 -3.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3950 1.1170 -3.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -0.9230 1.4460 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -1.3390 1.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -1.7460 2.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 0.5550 2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 1.3290 2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 2.4880 3.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 2.8730 3.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 2.0970 3.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 0.9360 3.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 4.0060 4.6050 F 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 2.4610 0.4150 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -1.7080 -2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -0.2570 -3.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 -1.7730 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2100 -0.8710 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9460 2.5130 -3.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 1.7070 -3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -0.6060 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 1.0280 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4080 3.0920 2.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 2.3970 4.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 0.3290 3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M END