NIH-ZINC00196466 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 0 0 1 0 0 0 0 0999 V2000 -0.9750 0.8610 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -0.4740 -0.5570 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -1.3170 0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 -1.1890 1.1980 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.5790 0.1390 1.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -2.6080 2.3890 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4210 -2.9470 2.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1950 -2.4630 3.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 -3.4220 4.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7870 -3.2960 5.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5110 -2.2150 6.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 -1.2600 5.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 -1.3880 4.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 -3.6190 1.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3150 -1.6990 0.0980 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2410 -0.5870 -1.1780 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 -1.9660 -1.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 0.1440 -2.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 0.3340 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 1.3850 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 1.4800 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 0.7650 -0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 -2.3670 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -1.0330 1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 -4.2780 3.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5140 -4.0450 5.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0230 -2.1150 7.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 -0.4130 6.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -0.6260 4.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -3.0810 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 -0.1520 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 0.3360 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 1.3600 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 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 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 M CHG 1 15 -1 M END