IFLAB-ZINC04263118 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 0.4860 1.1080 2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -0.3940 1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -0.6220 0.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -1.9130 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -2.2050 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -3.5160 -1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -4.5430 -0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -4.2500 0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -2.9380 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -5.8720 -1.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -6.8540 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -6.5760 0.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -8.2680 -0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -8.7860 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 -10.1200 -1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -10.9350 -1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -10.4250 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -9.0960 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -8.5530 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 -7.3680 -0.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 -10.6740 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6920 -9.9670 -0.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 1.6180 1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 1.4940 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 1.2820 3.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 -0.7800 2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -0.9040 2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -1.4060 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -3.7430 -2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 -5.0480 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -2.7090 2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -6.0880 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0050 -8.1570 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 -11.9680 -1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -11.0590 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 -9.3720 -1.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 -11.9620 -1.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8670 -12.2790 -1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 -8.9710 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 M END