NIH-ZINC00310745 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -0.7190 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -0.8520 0.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -2.1330 0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 0.0140 0.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 -1.1090 -1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -2.2410 -2.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -2.4480 -3.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 -1.5150 -4.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 -0.3770 -3.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 -0.1830 -2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 -1.7320 -5.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 -0.7990 -6.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 -1.0060 -7.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 -2.1380 -8.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 -3.0670 -7.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 -2.8670 -6.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -0.9020 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -1.6700 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -0.1170 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -2.9630 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -3.3310 -4.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 0.3490 -4.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0230 0.6970 -1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1460 0.0840 -5.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7890 -0.2840 -8.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0200 -2.2960 -9.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 -3.9490 -8.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 -3.5910 -5.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 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 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 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 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 M END