NIH-ZINC04111459 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 -1.7390 -0.5010 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 0.0950 -0.2210 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4530 1.1820 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -0.3440 1.0500 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0970 -0.0750 1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -1.8470 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -2.6860 2.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -4.0460 1.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -4.2120 0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -2.7370 -0.0610 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -0.0800 2.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 0.8510 2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 2.1480 2.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 2.7600 1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 1.9360 1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -0.1750 -1.5360 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 0.2550 -1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 0.8390 -1.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 -0.0880 -3.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 0.8950 -4.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 2.1550 -4.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 2.8030 -5.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 2.0160 -5.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 0.5060 -5.0780 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -0.2750 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 -0.0850 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -1.5880 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -2.3450 3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -4.8620 2.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 -5.1320 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 -1.0420 1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 -0.2090 3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8310 0.4430 2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 0.9430 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 3.7560 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 2.8900 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 1.8360 2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 2.3930 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -0.6950 -2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 -0.0460 -3.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 -1.1190 -3.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 2.5950 -4.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 3.7960 -5.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 2.2540 -6.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 0.5200 1.2150 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1710 0.6250 0.2430 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 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 45 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END