IFLAB-ZINC04323168 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7010 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7720 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0750 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6880 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.7500 -2.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -4.1770 -2.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -4.7480 -3.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -4.0050 -4.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -6.0830 -3.8930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -6.6370 -5.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -8.1650 -5.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -8.8520 -6.8540 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 -8.6050 -7.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -8.5690 -7.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -10.4930 -6.6290 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -11.2580 -6.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -12.4330 -7.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -13.2070 -7.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -12.3990 -7.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -11.2230 -6.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -14.3770 -8.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -15.2510 -7.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -16.4070 -8.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -16.6950 -9.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -15.8260 -9.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -14.6710 -8.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1650 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6260 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.8520 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1430 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -4.5020 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -4.5280 -1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -6.6770 -3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -6.3120 -5.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -6.2870 -5.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -8.4910 -4.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 -8.5160 -4.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -11.6360 -5.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 -10.6170 -6.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 -13.0740 -7.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 -12.0530 -8.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 -13.0150 -7.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 -12.0190 -8.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -10.5580 -6.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -11.5980 -5.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -15.0270 -7.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 -17.0880 -8.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -17.5990 -10.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -16.0540 -10.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -13.9950 -8.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 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 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 M END