IFLAB-ZINC03070332 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 1 0 0 0 0 0999 V2000 0.0430 1.5330 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 0.0370 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -0.7010 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -2.0970 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -2.7770 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -2.0450 -1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -0.6470 -1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -4.1390 -0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -4.8900 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -6.3850 -0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -6.8510 0.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -7.1540 -2.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -8.6210 -2.0800 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7060 -9.0000 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -9.1250 -1.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -9.1590 -3.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -8.2480 -4.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 1.8560 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 1.9700 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 1.9290 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -0.1960 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 -2.6610 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -2.5270 -2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -0.0910 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -4.6390 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -4.7030 -1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -6.7540 -2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0040 -8.7560 -2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -10.2190 -1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -8.7880 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -10.4090 -3.5260 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 M CHG 1 31 -1 M END