NIH-ZINC02463744 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 0.5180 0.9580 1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -0.2510 1.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -0.5350 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 0.2450 1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 -0.1790 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 -1.3820 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -2.1930 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 -1.7370 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 -3.3840 -0.7200 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0560 -4.2460 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 -5.6830 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -5.2710 -1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -3.8470 -1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -7.6480 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -8.3430 -2.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7360 -7.9170 -3.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 -8.6040 -4.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -8.1670 -5.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0610 -8.8290 -7.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 -9.9370 -7.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 -10.3850 -5.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 -9.7140 -4.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 -10.1550 -3.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 -9.4170 -2.4160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -11.1170 -3.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 1.0350 1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 1.8290 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 0.9450 2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 1.1830 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3360 0.4310 1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7660 -1.6600 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -2.3320 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5950 -3.9040 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7660 -4.2410 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 -5.7290 0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4320 -6.3570 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -5.6680 -2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -5.2960 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 -3.8480 -2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -3.1870 -2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 -8.1670 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -7.6650 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 -7.3080 -5.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 -8.4800 -7.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -10.4510 -8.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -11.2480 -6.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -9.7320 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -6.2040 -1.2590 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3050 -6.2300 -2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 12 48 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 48 1 0 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END