PUBCHEM-ZINC06134958 MOE2007 3D CORINA 3.40 0006 02.08.2006 91 92 0 0 1 0 0 0 0 0999 V2000 2.0370 0.8200 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 0.7300 -0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 -0.1140 -1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 0.0780 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 0.1150 -1.1620 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9370 -0.3760 -2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 -0.6020 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6180 -0.0090 -0.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 -1.9030 -0.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 1.5080 -1.4750 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 1.8270 -2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 0.9720 -3.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 3.2470 -2.9870 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7640 3.9270 -2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 3.5750 -2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6100 3.4590 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 4.5460 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9390 3.6330 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 3.4020 -4.4280 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 4.5990 -5.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 5.5250 -4.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 4.7860 -6.4740 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5900 3.9000 -7.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4000 4.9990 -6.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7440 5.0640 -8.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0680 3.9080 -8.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3830 3.9640 -10.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3740 5.1830 -10.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0490 6.3420 -10.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 6.2810 -8.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6830 5.2420 -12.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 6.5310 -12.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0220 6.3990 -14.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3440 6.4980 -14.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6810 6.3770 -15.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6960 6.1590 -16.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3730 6.0620 -16.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0360 6.1860 -15.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 5.9560 -6.9890 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 7.1710 -6.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 7.2960 -5.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 8.2460 -6.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 9.5230 -6.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 9.4460 -4.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 10.6170 -6.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 9.8500 -6.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 1.2040 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 1.4920 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 -0.1700 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 1.7320 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -1.1150 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -0.1780 -2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 0.3500 -2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -0.9570 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 0.6230 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -2.3780 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 -2.3650 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 2.1990 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 4.5910 -2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6260 2.8740 -2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 2.4780 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0800 5.5270 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 4.4180 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 4.4680 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6360 2.8580 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 3.5500 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3560 4.6140 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 2.6420 -4.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9360 4.1700 -6.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6890 5.9330 -6.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0740 2.9590 -8.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6350 3.0600 -10.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0420 7.2930 -10.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 7.1840 -8.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3680 7.1870 -12.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6530 6.9520 -12.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1140 6.6680 -13.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7140 6.4530 -16.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9590 6.0640 -17.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6030 5.8910 -17.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0020 6.1140 -14.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 5.8560 -7.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 9.2130 -4.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 10.4050 -4.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 8.6660 -4.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 10.6720 -8.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 11.5760 -6.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 10.3840 -6.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1010 9.0700 -5.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 10.8080 -5.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 9.9040 -7.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 50 1 0 0 0 0 3 51 1 0 0 0 0 3 52 1 0 0 0 0 3 53 1 0 0 0 0 4 5 1 0 0 0 0 4 54 1 0 0 0 0 4 55 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 56 1 0 0 0 0 9 57 1 0 0 0 0 10 11 1 0 0 0 0 10 58 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 59 1 0 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