IBS-ZINC05452189 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 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 -1.2000 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -2.0240 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -2.6650 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -1.9270 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5450 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1010 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 -2.6290 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4000 -2.8640 1.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5970 -3.4980 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4500 -3.9380 0.7830 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5040 -4.5000 1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3350 -4.4240 2.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1040 -3.7840 2.9160 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5370 -3.5040 4.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4640 -2.9410 4.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2360 -3.8920 5.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3850 -3.4640 6.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0840 -3.8510 7.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8480 -5.0890 8.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4890 -5.4440 9.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3660 -4.5620 10.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6020 -3.3250 9.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9570 -2.9670 8.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6680 -5.1060 0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8540 -5.1900 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0880 -5.8390 -0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5900 -6.1160 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7270 -5.6770 1.3240 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 -0.3430 -2.6010 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 -3.7440 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0290 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1800 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 -2.0080 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 -3.5830 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 -2.5740 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2060 -3.3970 5.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3780 -4.9720 5.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4150 -3.9590 6.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2430 -2.3830 6.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1620 -5.7780 7.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3050 -6.4120 10.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8680 -4.8410 11.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2870 -2.6360 10.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1380 -1.9990 8.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1840 -4.8280 -1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5450 -6.0700 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5280 -6.6140 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 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 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 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 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 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 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 M END