IFLAB-ZINC04518053 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -0.6330 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 0.0160 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -2.0960 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -2.9430 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -4.2360 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -4.4850 -0.0010 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 -2.8110 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 -2.2490 0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7740 -3.0420 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 -4.2510 0.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1250 -2.4420 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2560 -3.2610 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5130 -2.6950 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6560 -1.3190 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5390 -0.5010 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2760 -1.0540 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2660 -0.6040 0.1400 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.0930 0.6730 -0.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0970 -1.5880 -0.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6540 -0.4300 1.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -2.5600 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -5.0290 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7870 -1.2840 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1460 -4.3360 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3890 -3.3270 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6570 0.5720 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4050 -0.4160 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9140 0.2160 2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6450 0.0100 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6370 -1.4110 2.3770 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 28 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 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 M END