PUBCHEM-ZINC04861775 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 -0.5700 1.9420 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 0.5360 -0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -0.2590 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 0.1840 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8450 -0.7400 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 -2.1090 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -2.5710 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -1.6340 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 -4.0450 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 -4.6510 -1.2870 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 -6.0110 -1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -6.8030 -0.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -6.5170 -2.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -8.6610 -4.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -10.1790 -4.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5700 -10.6200 -3.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 -9.9580 -2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 -8.4390 -2.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 -12.1140 -3.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -12.9270 -2.7770 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 -12.6290 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3880 -14.2270 -3.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 -15.4370 -2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 -16.5980 -2.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5120 -16.5400 -4.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 -15.3120 -4.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 -14.1390 -4.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4750 -12.8300 -4.4510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 2.4260 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 2.2820 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 2.2410 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 1.2390 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8740 -0.3890 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4080 -2.8110 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -1.9700 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -4.2400 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 -4.5480 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 -4.0370 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 -6.0600 -3.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -6.2870 -3.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -8.3570 -4.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -8.2600 -4.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 -10.6180 -5.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -10.5450 -3.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 -10.2660 -4.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 -10.2410 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 -10.3080 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5880 -8.0420 -3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1200 -7.9760 -1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 -15.4850 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -17.5650 -2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 -17.4590 -4.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5790 -15.2620 -5.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 -8.0390 -2.8820 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8710 -8.3620 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 54 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 54 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 19 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 28 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END