IFLAB-ZINC04249406 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -2.5480 2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -4.0120 2.4650 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 -4.6590 1.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 -4.0310 1.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -6.0660 1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -6.7580 2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 -8.0650 2.3320 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -8.2410 1.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4160 -7.0260 1.3550 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6690 -6.8470 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4760 -8.1490 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5780 -9.3340 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -9.4310 1.3100 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -10.6570 1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -11.4050 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 -12.6150 1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 -13.0830 2.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 -12.3410 3.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -11.1320 3.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7810 -10.3270 3.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -6.0370 3.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -4.6910 3.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -4.0740 3.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -6.7400 3.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -2.1700 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -2.1960 3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4510 -6.6110 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2430 -6.0360 1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3140 -8.0960 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8540 -8.2850 1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1570 -9.1760 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1640 -10.2540 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -11.0400 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -13.1970 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 -14.0300 3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 -12.7080 4.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3330 -9.6520 4.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4740 -11.0000 4.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -9.7470 2.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -6.9130 4.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -6.1350 3.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -7.6960 3.2320 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 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 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 M END