PUBCHEM-ZINC06187984 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 0.3080 2.8650 -1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 1.4300 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 1.1080 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -0.2220 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -1.2250 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -0.9480 -1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 0.4030 -1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -2.2050 -2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -3.1910 -1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -2.5910 0.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -3.0780 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -2.3910 -3.5950 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0480 -1.4360 -4.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 -2.9890 -4.2230 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7850 -2.8690 -3.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 -1.5410 -3.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 -1.3550 -2.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9080 -0.1230 -1.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6890 0.9300 -2.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8520 0.7490 -3.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 -0.4840 -4.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2460 -3.8300 -2.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -4.3990 -4.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -5.3260 -4.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -4.5040 -4.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -5.4670 -4.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -3.3060 -3.9290 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -2.9840 -3.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 -2.2700 -4.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9610 -1.2080 -5.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2250 -0.6160 -5.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8700 -0.1210 -3.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6510 0.3650 -3.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 3.1900 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 2.9960 -2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 3.5130 -0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 1.9010 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -0.4610 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 0.6550 -2.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -4.2710 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 -2.1650 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5620 0.0140 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1760 1.8880 -2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 1.5700 -4.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 -0.5790 -4.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 -2.5480 -5.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 -3.9230 -3.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 -2.3770 -2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 -1.3220 -5.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -2.8950 -5.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1600 -1.8910 -6.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 -0.4090 -6.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6170 0.2010 -5.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9970 -1.3810 -5.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2660 -1.9620 -4.6950 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7960 -2.8180 -4.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 -1.3450 -3.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 22 2 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 M CHG 1 55 1 M END