IFLAB-ZINC04941766 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 0.0840 1.3580 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -0.0210 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -0.6640 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 0.0720 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 1.4510 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 2.0990 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 3.4980 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 4.2990 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 5.6000 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 5.5790 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 4.3190 -0.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 6.9400 -0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 8.1080 -0.2970 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 6.9800 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 3.8810 1.5510 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3780 4.6390 2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 5.6350 2.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 4.2530 3.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 3.2570 3.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 5.0110 4.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0570 4.6330 5.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9070 5.2110 6.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1110 6.1490 6.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5510 6.5500 5.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3480 5.2400 4.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 -2.3970 -0.2960 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 1.8590 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -0.5980 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 -0.4320 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 2.0250 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 6.9990 -1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 7.1390 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 7.1890 1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 7.0620 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 3.0430 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3950 5.8080 4.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1420 3.5470 5.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 5.7740 6.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9190 4.4060 7.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8090 7.0300 7.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9160 5.6220 7.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9150 7.3440 5.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5980 6.8520 5.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1900 4.5650 4.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2180 5.4560 3.6750 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 14 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 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M END