IBS-ZINC04337686 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.0090 1.1760 2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.2870 1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -0.8160 1.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -2.0970 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -2.7550 0.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -2.7150 1.2080 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5010 -2.1630 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4490 -2.6620 2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 -3.3450 2.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 -4.7850 2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7600 -4.1730 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0620 -6.1400 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4710 -6.6350 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4110 -5.9260 0.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6860 -7.8650 -0.5010 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9810 -8.3660 -0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1900 -7.6140 -0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4300 -6.2780 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7010 -5.8660 -1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7580 -6.7650 -1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5460 -8.0860 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2580 -8.5300 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7490 -9.7590 -0.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2720 -10.5700 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3770 -9.6680 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5200 -10.7400 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3450 -10.5280 0.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0080 -11.9960 0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0880 -13.0260 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 1.5730 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 1.7550 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 1.2430 3.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -0.3540 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -0.8660 2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7850 -3.1800 3.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 -1.6220 2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2260 -3.3480 3.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4940 -2.8030 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -5.3300 2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6410 -5.2700 2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 -4.2130 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -4.7210 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -6.8040 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -6.1250 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9380 -8.4000 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6120 -5.5730 -1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8850 -4.8330 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7580 -6.4250 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3760 -8.7760 -1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6090 -13.9840 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2830 -13.0730 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6720 -12.8090 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 -4.7820 0.7700 N 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 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 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 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 53 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 53 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 25 2 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 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END