NIH-ZINC04755000 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.3960 1.3290 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -0.1360 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.7570 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1240 2.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 1.0650 2.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -1.0370 3.5970 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -2.2440 3.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -2.4270 1.4590 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -3.3250 4.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -3.1530 5.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -3.9420 6.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 -5.5690 4.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -4.7190 3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -6.2070 6.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -7.6970 6.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -8.3610 6.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -9.7420 6.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -10.4720 5.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -9.8250 5.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -8.4440 5.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -0.8040 -1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 1.9510 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 1.6070 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 1.5710 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -3.5200 5.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -2.1030 5.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -3.9100 7.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -3.5640 5.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 -5.2530 3.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -6.6260 3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -4.8470 2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -5.0920 4.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 -5.8740 5.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 -5.9250 7.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -7.8180 7.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -10.2520 7.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -11.5470 5.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 -10.3990 4.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 -7.9650 4.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -0.2900 -1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -1.8570 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.7530 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 -5.4130 5.6480 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2450 -5.8010 6.0910 H 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 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 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 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 43 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 43 1 M END