NIH-ZINC04196991 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 0.3440 1.5670 1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 0.2090 1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -0.5790 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 0.0090 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 1.3670 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 2.1450 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 3.5850 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 4.3360 1.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 3.9960 0.8450 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 5.3830 1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 6.2010 -0.2680 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1690 5.9760 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 7.6990 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 7.9330 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 6.9680 -1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 5.8390 -1.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -1.9460 0.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -2.7570 0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -2.3920 1.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -4.2250 0.4400 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6580 -4.5720 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 -5.0690 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -6.4610 0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -6.8370 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -5.9030 -1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -4.4150 -1.0840 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5100 -4.0010 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -3.7650 -2.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 -3.2150 -1.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 2.1670 2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -0.2050 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3390 -0.5870 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 1.7900 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 3.3350 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 5.8090 1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 5.3670 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 8.2450 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 8.0310 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 8.9680 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3490 7.6530 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 7.4090 -2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0720 6.6390 -1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -2.4160 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -5.1200 2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 -4.5900 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -7.1820 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -7.8660 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -6.2310 -1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -6.0380 -2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -3.8280 -3.2380 O 0 5 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 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 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 M CHG 1 50 -1 M END