IFLAB-ZINC04323186 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 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 -0.7020 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.8180 -2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -3.0870 -2.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 -2.7090 -2.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -3.7460 -4.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0360 -4.0080 -4.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 -4.7660 -5.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 -5.0900 -6.3350 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.3610 -6.0270 -5.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4040 -3.8780 -6.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6070 -5.9050 -7.7690 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 -7.3730 -7.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5600 -7.9020 -8.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3710 -7.2430 -10.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 -5.7960 -9.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5700 -5.1800 -9.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1920 -7.8160 -11.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1640 -7.3340 -12.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9760 -7.9020 -13.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8160 -8.9500 -12.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8450 -9.4320 -11.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0320 -8.8710 -10.7360 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 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.8480 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -2.2170 -3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -3.7630 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -4.0480 -4.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 -4.6080 -3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 -3.0620 -4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 -4.1650 -6.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 -5.7120 -5.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -7.6740 -8.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 -7.7710 -6.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4360 -8.9790 -8.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5610 -7.6900 -8.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5080 -5.3450 -10.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6020 -5.6120 -9.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8090 -4.1300 -8.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 -5.2670 -9.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5090 -6.5160 -12.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9560 -7.5280 -14.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4500 -9.3920 -13.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5020 -10.2500 -11.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0530 -9.2510 -9.7250 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 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 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 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 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 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 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 M END