NIH-ZINC06530791 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2570 -0.7310 -1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1040 -1.8610 -2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 -1.8820 -3.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2580 -0.7740 -4.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4100 0.3560 -3.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 0.3790 -1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6620 -0.0260 0.8450 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 -0.2990 2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -1.1090 2.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6510 0.4010 3.0720 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6680 0.1800 2.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4120 1.9120 3.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4270 2.6270 3.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2370 2.1650 5.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3210 0.6990 5.3990 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4530 -0.0860 4.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3740 -0.0550 6.4310 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6260 -1.3400 5.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4020 0.8850 6.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5170 -0.3250 7.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7940 -1.4160 8.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3050 -1.2140 9.5260 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 -1.8240 10.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 -0.0060 9.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 0.5180 8.9890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 -1.7290 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 -2.7260 -1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 -2.7650 -4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6490 -0.7920 -5.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9200 1.2210 -3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0200 1.2630 -1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2850 0.6220 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 2.2560 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 2.1340 3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4370 2.3850 3.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2710 3.7040 3.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0190 2.5950 5.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2600 2.4860 5.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 0.0510 4.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7180 -1.1410 4.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6310 -2.2830 7.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5360 0.4500 10.8930 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 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 38 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 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 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 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 31 54 1 0 0 0 0 M END