PUBCHEM-ZINC01731600 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.6140 1.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6690 -1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.1190 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.6960 -2.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -4.1600 -2.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 -4.9860 -2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 -6.2530 -2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -6.2110 -2.3550 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -4.9570 -2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -4.4930 -2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5100 -5.3520 -2.4360 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8990 -4.8900 -2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5940 -5.2460 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6730 -6.6890 -1.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2590 -7.1700 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6920 -6.4090 0.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3770 -8.6580 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -6.7380 -2.3670 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4720 -4.5720 -2.4030 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7620 -3.3900 -2.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 -5.4130 -2.3560 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -2.4460 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -2.4700 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.3700 -3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 -2.3450 -3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -7.1470 -2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 -3.4360 -2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4180 -5.3740 -3.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 -3.8090 -2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5990 -4.8250 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0240 -4.8360 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9580 -9.0920 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8770 -8.8550 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3820 -9.1030 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 13 1 M CHG 1 20 -1 M CHG 1 21 1 M CHG 1 23 -1 M END