IFLAB-ZINC02713765 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.8040 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.0890 0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.0810 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.7920 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.3070 -2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -0.2820 -3.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 0.7190 -2.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 0.4010 -3.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3660 -0.8320 -3.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 -1.3040 -3.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 -2.6320 -3.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6720 -1.7080 -4.7140 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.9610 -0.4380 -4.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2100 -0.9780 -5.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2260 -2.1110 -5.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3080 -0.2040 -5.4380 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4600 -0.7020 -6.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5660 -0.0430 -6.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.5640 -0.6730 -6.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2870 -1.9230 -7.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6200 -2.2720 -6.6940 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.4680 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -2.9620 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -2.9480 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 0.6970 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -0.9790 -3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -3.3110 -3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 -3.0100 -4.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 -2.5630 -4.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1790 -0.1580 -3.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6170 0.4380 -5.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2950 0.7020 -5.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5260 -0.2130 -6.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9640 -2.6020 -7.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 M END