PUBCHEM-ZINC06564071 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 0.7020 -0.3030 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 0.3890 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 1.6140 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -0.5840 -0.1540 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0030 -1.4990 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3430 0.0500 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 0.6070 0.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 -0.0010 2.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 0.6710 3.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 0.6220 4.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3740 1.3290 5.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 2.0540 4.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2740 2.7130 5.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9530 2.6590 7.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 1.9410 7.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 1.2730 6.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 1.8870 9.0680 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5340 1.2580 9.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 2.4730 9.8790 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1890 -0.9050 -1.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 -1.8880 -2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -2.5100 -1.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 -2.2120 -3.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -3.2300 -4.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -3.5270 -5.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9750 -2.8180 -5.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4090 -1.8070 -4.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 -1.5040 -3.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 0.3910 -1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 -1.1760 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -0.6160 -2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 0.7030 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 1.2980 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 2.1250 -0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 2.2930 -1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -0.5030 2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 0.0630 4.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7420 2.0960 3.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1370 3.2730 5.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 0.7110 7.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 -0.4090 -1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -3.7840 -4.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -4.3140 -6.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5360 -3.0540 -6.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3080 -1.2580 -5.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 -0.7180 -3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7260 3.3110 8.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4520 2.7790 8.4610 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 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END