IFLAB-ZINC04505680 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3820 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 1.1980 -0.6930 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 0.0010 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 1.4050 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 2.0920 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 2.1380 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 3.3310 -0.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9140 1.3250 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -0.0200 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -0.6750 -0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6060 0.2260 -1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 -1.1140 -2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5110 -2.0130 -2.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -2.2470 -0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9700 -0.8940 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4230 -2.7490 -3.5180 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 -3.9090 -2.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 -2.7900 -4.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7730 -1.6750 -3.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9560 -1.7930 -3.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0160 -0.9550 -3.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8940 0.0120 -4.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6970 0.1260 -5.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6470 -0.7220 -4.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0250 0.9130 -4.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0640 0.8120 -4.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9080 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -1.7730 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 3.1710 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7850 1.8490 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0310 1.1600 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 0.8690 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5080 0.7090 -2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 -1.5550 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 -0.9560 -3.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9540 -2.7810 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -2.8360 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8600 -0.4000 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0810 -1.0490 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0490 -2.5410 -2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9380 -1.0480 -2.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5960 0.8720 -5.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7220 -0.6380 -5.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9040 1.8450 -5.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6710 2.4110 -5.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 46 47 1 0 0 0 0 M END