IFLAB-ZINC04166782 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -2.0040 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -2.6280 2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -1.8700 3.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -0.4840 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 0.1400 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -2.5040 4.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 -2.0630 4.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9240 -3.0250 5.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0370 -2.8150 6.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7730 -1.7240 6.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4780 -0.8500 5.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4510 -1.0030 4.7870 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4420 -3.9720 7.9910 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9070 -3.1720 8.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4420 -4.0090 9.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3820 -4.9920 9.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8740 -5.7590 10.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4260 -5.5440 11.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4850 -4.5610 12.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9980 -3.7890 11.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 -4.2910 13.7740 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9900 -3.9860 5.7900 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 -3.7110 4.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -2.5940 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -3.7070 2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.1070 3.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 1.2180 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 0.0230 5.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6710 -3.0750 7.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6390 -2.1840 9.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7320 -5.1600 8.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6080 -6.5270 10.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8090 -6.1440 12.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2670 -3.0190 11.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 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 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 40 1 0 0 0 0 25 26 2 0 0 0 0 M END