IBS-ZINC03999782 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 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 1.1770 -0.6860 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -2.0960 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -2.6950 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.7950 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -2.1790 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -0.7730 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -0.1310 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -0.8720 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 -2.2640 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -2.9160 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 -2.9870 0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -2.2540 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1090 -3.2170 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9050 -4.4130 0.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3730 -2.7500 0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4450 -3.6400 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3640 -4.9990 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6670 -5.5070 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5040 -4.5020 0.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.7660 -3.3110 0.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2920 -2.0160 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5740 -1.7850 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0820 -0.4980 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2870 0.5170 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0220 0.2150 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5670 -1.0220 0.6600 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0430 -6.9660 0.1310 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 2.1140 -0.1490 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 0.9480 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5920 -0.3760 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -3.9960 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9850 -1.6320 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 -1.6220 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5360 -1.7940 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4550 -5.5810 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1650 -2.5990 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0750 -0.2890 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6540 1.5320 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4000 1.0020 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1180 -7.3230 1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0030 -7.0930 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2800 -7.5370 -0.3970 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 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 29 1 0 0 0 0 21 22 1 0 0 0 0 22 23 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 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 M END