PUBCHEM-ZINC04097126 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 1.8580 1.2210 1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -0.1440 1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 -0.7240 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 0.1140 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 1.4710 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 2.0350 0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 2.2450 -1.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -0.3560 -2.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -2.2040 0.1870 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0710 -2.7580 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -2.4980 0.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -3.8760 1.2070 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6540 -4.1410 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -3.9020 2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 -2.9890 3.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 -3.0060 4.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -2.1570 5.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 -2.1290 6.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 -0.9610 6.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 0.1560 6.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5750 -1.0300 7.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2450 -2.2260 7.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4260 -2.2120 8.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9510 -1.0080 8.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2950 0.1760 8.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1240 0.1740 7.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5610 1.4040 7.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8030 1.3630 8.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -4.9270 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -4.6340 -0.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3890 -2.5380 -1.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 1.6460 2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -0.7580 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 3.0930 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 1.6080 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -1.3330 -1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -2.3740 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -3.6150 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -4.9260 2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -3.3150 3.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -1.9570 3.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -2.6280 3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -4.0360 4.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -2.5870 6.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -1.1390 5.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 -3.0130 6.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8930 -3.1860 7.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9410 -3.1450 8.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8650 -0.9960 9.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7930 1.2360 6.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1730 2.0320 8.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 -3.4900 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -5.9350 0.2340 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 31 52 1 0 0 0 0 M CHG 1 53 -1 M END