IBS-ZINC02273159 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 0.0120 1.6010 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 0.0810 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -0.4800 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -2.0100 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 -2.5710 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 -4.1030 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1950 -4.6360 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8360 -4.8540 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 -4.5060 -2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 -4.7460 -3.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2050 -5.3400 -3.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7890 -5.6900 -2.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1110 -5.4450 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7680 -5.8290 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8260 -6.4450 -0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1000 -5.4590 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 -4.8630 3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8720 -4.9100 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1920 -4.5710 2.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7230 -5.6700 2.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9080 -5.3730 3.5980 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0390 1.9800 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 1.9950 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 1.9920 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -0.2770 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.2800 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -0.1160 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1130 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -2.3740 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 -2.3770 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 -2.2040 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 -2.1930 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 -4.4980 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 -4.4590 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3050 -4.0280 -2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4870 -4.4620 -4.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7280 -5.5260 -4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7740 -6.1510 -2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9120 -6.0590 2.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 39 2 0 0 0 0 M CHG 1 21 -1 M END