NCID-ZINC04544234 MOE2007 3D CORINA 3.40 0006 02.08.2006 78 79 0 0 1 0 0 0 0 0999 V2000 0.6520 -0.2580 1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -0.0880 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -0.8500 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -0.6420 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -0.3480 -1.3800 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4400 -0.7630 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 -0.9760 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4020 -0.2820 -1.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -2.3100 -1.2700 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 1.1010 -1.5590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 1.6240 -2.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 0.8950 -3.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 3.1140 -2.9830 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5060 3.6100 -2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 3.6050 -2.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 5.1080 -2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 5.7200 -3.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3830 7.0990 -3.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 7.8670 -2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2210 7.2560 -1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 5.8760 -1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 3.4270 -4.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 4.6410 -4.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 5.4750 -4.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 4.9640 -6.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 6.3340 -6.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 6.8430 -7.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 6.1670 -8.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 8.2540 -8.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 8.5670 -9.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 9.7810 -9.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 10.6140 -9.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 10.1030 -11.3520 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4950 9.2360 -11.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 10.4610 -11.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 10.6630 -13.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 9.5930 -14.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 9.7760 -15.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 11.0350 -15.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 12.1070 -15.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 11.9200 -13.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 11.2170 -17.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 0.0560 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 0.3550 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -1.3050 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 0.9700 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -1.9080 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -0.7290 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -0.4550 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -1.7190 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 -0.1680 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 -2.8650 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4350 -2.7140 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 1.6840 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5130 3.1770 -2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 3.2940 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 5.1200 -4.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8610 7.5760 -4.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8770 8.9440 -2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 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