IFLAB-ZINC04519038 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -4.8650 -1.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -4.8790 1.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -5.0080 -0.0070 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1620 -4.6130 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -6.5340 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 -7.0780 1.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -8.4100 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -9.1590 0.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -8.9580 2.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -8.1000 3.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -8.6180 4.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -9.9860 4.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -10.8440 3.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -10.3390 2.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -11.1760 1.9130 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -4.4480 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -3.5930 -1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 -3.3340 -2.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -4.0450 -3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -4.7140 -2.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 -6.8210 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -6.9290 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -6.4800 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -7.0320 3.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -7.9550 5.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -10.3860 5.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -11.9100 4.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9030 -3.1840 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 -2.6880 -2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 -4.0720 -4.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 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 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 24 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 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 M END