IFLAB-ZINC02458725 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -2.3480 0.0030 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -2.8330 -1.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -2.8460 1.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 -2.7820 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -2.9680 -1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 -2.9720 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 -2.3370 2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 -2.5480 3.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9580 -3.3370 3.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4140 -3.9630 2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 -3.7970 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6020 -4.8410 2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0220 -5.4150 1.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 -4.0060 -1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7780 -2.7230 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 -2.3140 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 -1.6880 2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 -2.0580 4.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1620 -4.3020 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 -5.0020 3.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9870 -5.5840 3.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 30 31 1 0 0 0 0 M END