IFLAB-ZINC04104762 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 54 0 0 1 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 0.7070 -0.4960 1.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 -0.6460 0.6970 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4940 0.3230 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 -1.6580 1.2210 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5120 -2.5520 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 -1.9640 0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0370 -1.7180 -1.1480 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0080 -2.6120 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -1.3660 -0.6640 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1500 -2.2950 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4820 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 -0.5920 -1.9030 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3710 0.4080 -1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6870 1.2400 -2.3520 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1330 0.8220 -3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4320 -0.3570 -3.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -0.9880 -4.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 -0.5260 -5.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 0.6100 -5.7840 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 1.3130 -4.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7340 2.3340 -5.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8830 -1.0460 2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 -2.0680 2.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 -1.6910 3.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 -0.5390 4.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4820 -2.6780 4.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3400 -2.2900 5.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1850 -3.2160 6.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1830 -4.5280 5.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3340 -4.9190 4.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4800 -4.0040 4.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -0.5420 -0.0080 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 4.6780 0.4990 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -1.0650 -6.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 0.9220 -6.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 -0.2440 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -0.6450 3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3440 -1.2660 5.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -2.9180 6.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8460 -5.2490 6.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3380 -5.9440 4.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 -4.3110 3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -0.1730 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -1.6310 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -0.2040 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 43 1 0 0 0 0 30 31 1 0 0 0 0 30 44 1 0 0 0 0 31 32 2 0 0 0 0 31 45 1 0 0 0 0 32 33 1 0 0 0 0 32 46 1 0 0 0 0 33 47 1 0 0 0 0 34 48 1 0 0 0 0 34 49 1 0 0 0 0 34 50 1 0 0 0 0 M END