NIH-ZINC04301812 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 35 0 0 1 0 0 0 0 0999 V2000 0.5170 0.8870 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.4610 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -1.0910 -1.0850 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7590 -1.0500 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -0.2770 -2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -2.5830 -1.2730 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3850 -3.1040 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 -2.7830 -1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -3.1950 -3.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -3.2600 -2.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -3.5000 -3.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -3.5780 -1.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 -3.3460 -0.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 -4.1910 -2.9640 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5430 -4.5990 -2.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9660 -5.0220 -4.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3470 -4.2200 -5.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6590 -4.9750 -6.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5090 -6.3270 -6.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0040 -6.6820 -4.7040 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 0.8120 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 1.6460 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 1.2400 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -1.1380 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 -0.3290 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 0.7240 -2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -0.7550 -3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -0.1580 -2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -4.3660 -3.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1490 -3.7550 -2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 -5.4040 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3860 -3.1390 -5.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9730 -4.5480 -7.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -7.1280 -7.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 -2.5410 -1.0040 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 M CHG 1 35 -1 M END