NIH-ZINC04959134 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.7170 1.2220 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -0.2840 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -0.6520 -1.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 -1.9870 -1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -2.8290 -0.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -2.2850 -2.4450 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 -3.6720 -2.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -3.8420 -2.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3670 -1.4190 -3.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 -1.2840 -3.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2120 -3.0400 -4.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4390 -2.6730 -5.6690 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4810 -1.5830 -5.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6900 -3.3010 -6.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7280 -4.6720 -6.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8880 -5.2770 -7.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0380 -4.4940 -7.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3510 -4.7710 -7.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0600 -3.5930 -7.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2270 -2.6080 -7.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4860 -1.6370 -7.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9860 -3.1320 -6.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8340 -2.5090 -6.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2620 -3.0970 -6.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 1.7210 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 1.5470 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 1.5540 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -0.5920 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 -0.7700 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -4.3470 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -3.9420 -3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 -3.6480 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 -4.8480 -3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7330 -0.7670 -4.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8850 -1.1860 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -1.4520 -4.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 -0.2670 -3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 -4.0990 -4.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8030 -2.4370 -3.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8470 -5.2930 -6.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8980 -6.3400 -7.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7350 -5.7310 -8.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0810 -3.3700 -7.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8370 -1.4450 -6.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 -3.1660 -7.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 -2.8490 -3.8950 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3010 -3.0600 -4.8240 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 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 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 10 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 9 46 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 14 23 2 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END