IFLAB-ZINC05250690 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 -0.7830 0.5770 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -0.8730 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -1.4560 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -2.7870 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -3.5340 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -2.9500 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -1.6180 1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -3.7640 2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -5.2290 -0.1070 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9090 -5.4370 -1.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 -5.5000 0.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -6.1280 0.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 -6.1040 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 -7.2920 -0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 -7.2680 -1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -6.0550 -2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -4.8670 -1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -4.8910 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1820 -6.0310 -2.8570 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0530 -4.8470 -2.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1700 -4.3460 -4.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8640 -5.3860 -5.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9390 -6.5900 -5.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5990 -7.3380 -3.7980 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4220 -8.1320 -3.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7970 -7.8310 -3.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -3.4230 -2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 0.6560 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 1.0010 1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 1.1230 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -0.8730 -1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -1.1610 2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 -3.7120 2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -3.3670 3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -4.8020 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -6.6720 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -8.2350 -0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 -8.1920 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8050 -3.9240 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -3.9670 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0420 -5.1110 -2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6260 -4.0620 -2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7490 -3.4220 -4.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1740 -4.1500 -4.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7840 -5.7140 -4.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1020 -4.9430 -6.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4250 -7.3200 -6.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 -6.2620 -5.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -3.4270 -2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -4.4470 -2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -2.8550 -3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 M END