PUBCHEM-ZINC06878702 MOE2007 3D CORINA 3.40 0006 02.08.2006 81 85 0 0 1 0 0 0 0 0999 V2000 1.3860 -0.1310 2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -0.8480 1.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -2.2100 1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -0.1200 0.1150 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -0.7670 -0.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 1.2810 0.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -0.5100 -0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 -1.6450 -1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 -1.9540 -2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -1.1230 -2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 0.0160 -1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 0.3220 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7620 -1.4340 -2.7370 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2030 -0.6070 -3.8640 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2200 -0.2580 -3.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2830 0.5770 -4.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7980 1.8600 -3.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9610 2.9490 -4.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 2.7550 -4.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 1.4570 -4.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 0.3770 -4.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 3.9160 -4.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 5.0440 -4.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 3.7250 -4.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 4.9120 -4.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 -1.4250 -5.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8160 -2.5840 -5.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5390 -0.8690 -6.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5080 -1.6640 -7.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -1.0810 -8.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4680 -1.9110 -9.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 -1.8780 -10.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0660 -2.4600 -9.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0980 -1.6300 -8.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -2.4930 -2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5730 -2.7090 -2.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 -3.4080 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0210 -4.3980 -0.9390 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0090 -4.2760 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3630 -3.2790 0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4290 -3.4670 1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1640 -4.6440 1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8370 -5.6370 0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7480 -5.4700 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1980 -6.2510 -0.9930 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1900 -5.6600 -1.5290 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -0.3310 2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 0.9400 2.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -0.4670 3.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -2.1690 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -2.7620 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -2.7110 2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 -2.2910 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 -2.8410 -2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3600 0.6640 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 1.2090 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8570 2.0100 -3.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3640 3.9500 -4.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 1.3000 -4.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 -0.6270 -4.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 5.5140 -3.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 5.4960 -5.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 4.6170 -4.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8230 0.0580 -6.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7820 -2.6940 -7.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2260 -0.0510 -8.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5050 -1.1050 -8.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -1.4970 -10.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7430 -2.9420 -9.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 -0.8470 -10.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0360 -2.4690 -11.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0620 -2.4360 -9.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3410 -3.4900 -9.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 -2.0450 -7.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8240 -0.5990 -8.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -2.8240 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0940 -3.9200 -1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7970 -2.3600 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7020 -2.6920 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0030 -4.7760 2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4160 -6.5480 0.7980 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