IFLAB-ZINC04553795 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3800 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -0.5500 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 0.7210 -0.0170 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 1.9580 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -2.0290 -0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5700 -2.5820 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 -2.3970 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -3.8340 1.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 -4.3890 2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7270 -3.6970 3.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 -5.8550 2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 -6.5470 1.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3180 -6.4100 3.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 -7.8470 3.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8640 -8.5240 4.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0160 -8.2930 3.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -2.4510 -1.5150 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 -1.6830 -1.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -3.8580 -1.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 -1.8440 -2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 -0.6210 -3.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -0.3690 -4.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -1.3880 -4.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -2.7610 -3.6840 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 1.9480 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -0.5970 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 3.0240 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 -1.8430 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -2.1430 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -4.3880 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6440 -5.8570 3.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0700 -8.4250 2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 -7.9000 5.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 -9.5470 4.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4200 -9.1630 3.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7390 -7.5160 3.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 0.1170 -3.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 0.5800 -4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -1.3730 -5.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 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 18 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 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 32 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 M END