IFLAB-ZINC04585698 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 -4.4780 -9.2920 4.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 -8.5110 3.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3650 -7.0970 2.4670 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 -6.3320 1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -6.8690 1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -6.2680 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -5.1270 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -4.5800 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 -5.1800 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7510 -4.6030 0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6250 -5.1250 1.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0220 -3.4970 0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3300 -3.0140 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5600 -1.6440 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8470 -1.1610 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9270 -2.0470 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6950 -3.4260 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3970 -3.9020 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7400 -4.2920 -0.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3080 -1.5320 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6260 -0.2830 -0.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.9320 0.0310 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5320 1.3060 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8860 1.4320 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7050 0.3120 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1500 -0.9440 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7650 -1.0930 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7550 -2.5310 -0.2360 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 -10.1410 4.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8550 -8.6400 4.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 -9.6500 3.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 -8.1530 3.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -9.1630 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -7.7580 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -6.6890 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -4.6640 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -3.6900 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 -3.0360 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7260 -0.9580 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0220 -0.0980 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 -4.9640 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0140 -4.5960 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9110 2.1890 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3290 2.4140 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7790 0.4260 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7880 -1.8150 -0.3690 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 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 38 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 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 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 27 28 1 0 0 0 0 M END