IFLAB-ZINC02700792 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 0.0560 1.6480 0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 0.4110 1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -0.4370 1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -0.0470 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 1.2050 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 2.0410 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 1.6890 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 2.4310 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 2.9750 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2080 2.7950 -0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4300 2.0600 -1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2060 1.4920 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 0.6600 -2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9390 -0.4280 -1.8680 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3600 -0.9970 1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 -1.2170 2.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -1.5770 0.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -2.5220 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6890 -2.9060 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7340 -3.8270 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0620 -4.3800 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3360 -4.0110 -1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2900 -3.0930 -1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5630 -2.7630 -2.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6350 -4.2870 2.5220 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 2.3120 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 0.1060 1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -1.4020 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 3.0130 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 2.5950 1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3780 3.5460 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1520 3.2210 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7760 1.9150 -2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 -1.2890 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4790 -2.4920 2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8730 -5.0970 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5850 -4.4540 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0120 -3.0680 -3.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 1.0890 -3.5030 O 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 39 2 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 34 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 35 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 24 38 1 0 0 0 0 M CHG 1 14 -1 M END