NIH-ZINC00424570 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0030 0.9780 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 0.9980 2.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 1.6420 2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 1.2720 3.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 1.8310 3.8640 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 3.1370 4.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 3.8170 4.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 3.7080 4.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 4.9750 5.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3230 5.4540 5.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3770 4.6420 4.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2210 3.4100 4.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9530 2.9720 4.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7870 1.7090 3.6940 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6400 1.2220 3.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5780 1.1040 3.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 -0.4250 2.7850 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 1.1320 1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 1.8860 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 1.2270 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2660 1.9320 -2.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 3.2990 -1.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9490 3.9630 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1950 3.2620 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -0.1150 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 1.3530 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 1.3800 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -0.0950 2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 1.2930 3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 1.3170 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 2.7320 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 1.6540 4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 0.1850 3.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1790 5.5870 5.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5060 6.4340 5.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4070 4.9700 5.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 1.3840 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 0.0460 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3570 0.1600 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6860 1.4150 -2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0710 3.8460 -2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 5.0290 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 3.8020 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 1.4710 1.0080 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5940 2.4980 0.9930 H 0 0 0 0 0 0 0 0 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 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 2 0 0 0 0 6 8 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 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END