IFLAB-ZINC04583247 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 0.9340 0.3870 -2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -0.6970 -1.7750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -1.0990 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7890 -0.4650 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 -0.8750 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5100 -1.9200 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -2.5600 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -2.1530 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -2.8300 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -2.1790 0.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -4.1720 -0.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -4.9860 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -5.9160 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -6.6810 -1.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -5.7950 -1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -4.8610 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -7.6540 -2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 -8.4920 -2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -9.4420 -3.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -9.5030 -4.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -8.6660 -4.0940 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -7.7810 -3.1650 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -10.4440 -5.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -10.3320 -6.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -11.4690 -7.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -11.3850 -8.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 -11.4550 -7.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -10.3190 -6.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 0.6070 -3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 1.2680 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 0.1120 -3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 0.3500 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 -0.3790 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -2.2340 1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -3.3740 1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -4.3360 -0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -5.5800 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -5.3240 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 -6.6040 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -5.2040 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -6.3950 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -5.4420 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 -4.1270 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 -8.4010 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -10.1160 -3.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -9.3740 -6.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -10.3970 -5.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 -11.3770 -7.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -12.4270 -6.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -10.4440 -8.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -12.2180 -8.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -11.3530 -7.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -12.4130 -6.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -10.3740 -5.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -9.3610 -6.7600 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 M END