IBS-ZINC02131230 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 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 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 0.1080 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6030 -0.5190 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -1.9070 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 -2.6650 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 -2.0170 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 -4.0600 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2570 -4.0780 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7310 -2.7990 0.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6690 -2.5520 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0620 -5.3570 0.0270 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4640 -5.5420 -0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 -6.4860 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -5.3020 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2100 -5.2390 1.0310 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6260 -4.8330 2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8470 -5.6510 3.4220 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4830 -5.4120 4.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5530 -6.7820 3.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7030 -7.4580 4.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1050 -7.2210 2.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9930 -6.5380 1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5000 -6.9480 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8540 -8.4800 2.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3020 -8.2000 2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2390 -8.6200 1.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 -3.8120 2.4930 O 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 -2.3270 1.1860 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 0.0690 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -2.5930 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 -6.4070 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -7.4200 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -5.1890 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 -5.4720 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7770 -8.9590 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4410 -9.1400 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5680 -7.6530 3.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2770 -8.4190 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9730 -9.1670 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8710 -4.4390 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1740 -6.4640 0.4160 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 -6.4200 1.3990 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 46 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 46 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 29 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 27 28 2 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 46 47 1 0 0 0 0 M END