IBS-ZINC05176997 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 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 -0.8080 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -2.1450 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.1330 -0.6750 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7990 -1.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.4950 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -3.3530 1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -3.2240 2.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -4.3490 3.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -5.6120 3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -5.7500 1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -4.6260 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -4.7590 -0.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -6.7170 3.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -6.5040 5.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -7.8330 6.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -9.0060 5.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -10.2260 5.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -10.2740 7.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -9.1020 8.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -7.8800 7.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -6.7340 8.1220 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.3980 2.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -0.2220 3.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 -0.4580 2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5620 -0.2790 2.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 0.1350 4.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 0.3730 4.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 0.1900 4.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 0.4170 5.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 0.8380 6.3810 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 0.0650 -2.2420 3.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -4.2470 4.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -6.7340 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -4.7890 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -5.9290 5.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -5.9530 5.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -8.9700 4.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -11.1420 5.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -11.2270 7.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -9.1400 9.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 -0.7820 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4810 -0.4630 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5550 0.2740 4.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 0.6970 5.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 0.9840 6.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 1.7760 6.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 0.0760 6.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 15 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 14 39 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 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 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 M END