NIH-ZINC00251834 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -3.6370 0.1480 -1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 -0.3510 -1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 -1.5450 -2.9360 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 -2.7630 -2.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -0.8770 -4.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -1.9150 -2.6310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -2.8630 -1.5670 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4040 -2.6280 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -2.5430 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -4.3900 -1.9280 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4340 -4.9620 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -4.8050 -3.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 -5.7110 -3.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 -5.8780 -4.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -5.0970 -5.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 -4.1750 -4.7360 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -6.1140 -2.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3230 -6.4120 -2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -5.2220 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -4.8950 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2550 -6.7820 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 0.6320 -2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3490 -0.6770 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8380 0.8760 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 0.4790 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -0.8370 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -1.7840 -3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1920 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -2.6600 -2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 -1.5050 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 -6.2360 -2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -6.5360 -4.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -5.0250 -6.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 -6.9070 -2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -6.0070 -3.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 -5.6470 -3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 -7.3730 -3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 -5.3030 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 -4.3910 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 -3.9270 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 -5.6630 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4530 -7.7420 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8470 -6.0090 -1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6140 -6.8740 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 -4.8140 -1.8870 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0440 -4.0480 -2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 -6.4830 -1.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 45 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 45 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 47 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 45 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 47 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END