IFLAB-ZINC04079394 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6180 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -2.0030 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -2.6260 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -1.8690 3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -0.4880 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 0.1390 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -2.5500 4.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0410 -2.7570 3.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 -2.3870 2.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 -3.3520 4.8610 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2050 -3.5430 4.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7910 -3.1950 3.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0210 -3.4440 3.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6170 -4.0330 4.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4180 -4.2940 5.5880 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3190 -4.4820 4.3930 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9570 -3.9250 2.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4270 -4.2440 2.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9890 -4.7920 3.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1810 -3.8890 1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5450 -4.1830 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2440 -3.8470 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5990 -3.2200 -0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2490 -2.9260 -0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5350 -3.2610 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -2.5950 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -3.7040 2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.1000 3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 1.2170 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 -1.9280 5.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -3.5160 4.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5160 -3.6480 5.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4230 -4.4360 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8120 -2.8490 2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0500 -4.6710 2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2970 -4.0730 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1520 -2.9590 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7530 -2.4360 -1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4800 -3.0350 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 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 37 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 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 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 M END