IFLAB-ZINC02715855 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 52 0 0 0 0 0 0 0 0999 V2000 -0.0260 1.4290 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 0.0470 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -0.6160 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.1030 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 1.4840 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 2.1470 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 3.9080 -0.0060 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 4.3520 -0.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 4.2940 -0.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 4.3870 1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 5.0900 2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 5.1850 4.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 5.5900 5.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 5.2960 6.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 4.5960 6.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 4.1900 4.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 4.4760 3.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 4.0680 2.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 3.3720 2.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 2.0630 2.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 2.0100 3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 3.0590 2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 4.1360 2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 4.3120 6.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 4.4020 8.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 5.7150 8.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 5.6920 7.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -2.3510 -0.1680 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 1.9470 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -0.5140 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 -0.4140 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 2.0460 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0460 5.3360 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 6.1330 6.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 3.6510 4.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 1.2620 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 1.9630 3.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9940 1.0180 3.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 2.2950 4.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 2.6300 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 3.4680 3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 4.7910 3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 4.7150 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 4.3960 8.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 3.5590 8.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 6.5580 8.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 5.8060 9.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 5.4640 3.4560 N 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 18 2 0 0 0 0 11 33 1 0 0 0 0 11 48 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 12 48 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 M END