IBS-ZINC02126784 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 0.3490 1.5150 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -0.0020 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -0.4160 1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 -0.4340 -0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9140 0.0860 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8370 -0.0890 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 -1.0500 -2.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -1.8880 0.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -2.5120 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -1.9120 2.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 -4.0440 1.2980 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9820 -4.3510 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 -4.4660 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -4.6600 2.6110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -5.0290 2.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -4.8780 2.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -5.6320 4.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -6.0370 4.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -6.6060 5.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -6.7690 6.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -6.3630 6.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -5.7940 5.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -5.3780 4.7440 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 -5.4840 5.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 -4.8030 3.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -4.4660 3.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 1.8090 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 1.8450 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 2.0640 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -0.4890 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -0.0180 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -1.5050 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -0.0420 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -2.4080 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9600 -3.9510 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 -4.2090 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2450 -5.5460 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -5.9130 3.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 -6.9210 5.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -7.2110 7.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -6.4940 7.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 1.0620 -1.5940 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 42 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 25 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 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 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 2 0 0 0 0 M CHG 1 42 -1 M END