PUBCHEM-ZINC03869731 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 0.2480 1.0150 -1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -0.3150 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 -0.7090 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 0.2430 1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 1.5620 0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 1.9580 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6170 2.4770 1.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6220 -0.0450 2.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -2.0880 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 -2.3840 1.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -2.9110 0.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -4.4800 0.4370 P 0 0 3 0 0 0 0 0 0 0 0 0 1.4260 -5.2680 0.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -4.9870 -0.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -6.3720 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 -6.5290 -1.2920 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7670 -5.8660 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 -7.9780 -1.6400 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0790 -8.5700 -1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 -8.5080 -0.4120 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9370 -8.7100 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4430 -7.2310 0.0940 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4600 -7.2300 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6170 -6.1000 -0.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8080 -6.9610 -0.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2040 -6.3820 -1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5120 -6.2450 -1.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9880 -6.7750 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9490 -7.2220 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0640 -7.7760 1.6090 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3560 -7.8780 1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4600 -7.4860 1.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2910 -6.9160 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4050 -6.4960 -0.6080 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5350 -9.4760 -0.7990 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.8450 -8.0440 -2.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4350 -8.7860 -2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 1.3180 -1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -1.0250 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 2.9900 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 1.9590 1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.0040 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -6.8810 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -6.7770 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4940 -6.0800 -2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5310 -8.3300 2.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2920 -6.0760 -1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3100 -6.6260 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -4.5560 1.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 -4.3550 1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 38 1 0 0 0 0 2 3 2 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 40 1 0 0 0 0 7 41 1 0 0 0 0 8 42 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 12 13 2 0 0 0 0 12 14 1 0 0 0 0 12 49 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 46 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 47 1 0 0 0 0 34 48 1 0 0 0 0 36 37 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 35 -1 M END