PUBCHEM-ZINC05973693 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 -2.5580 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 -3.9840 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2970 -4.3920 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2710 -3.4570 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5830 -3.8450 0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9120 -5.1500 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0840 -5.4730 0.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9620 -6.1030 0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2160 -7.0390 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 -5.7620 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 -6.6230 -0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6400 -2.8310 0.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2000 -1.8390 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4590 -2.9080 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9080 -3.1740 -0.7660 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.1440 -4.2360 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8590 -2.6860 0.7040 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.9700 -1.6030 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5420 -3.0820 1.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9430 -3.3750 1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9530 -2.8250 2.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8680 -2.3890 -1.5470 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0140 -2.6060 -2.6400 N 0 3 0 0 0 0 0 0 0 0 0 0 -11.1610 -2.8230 -3.7330 N 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 -4.3750 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 -4.3850 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0160 -2.4080 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4030 -1.9630 -1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1060 -3.7280 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9150 -3.2170 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7350 -4.4440 1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6180 -3.2160 3.4390 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 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 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 27 28 2 0 0 0 0 M CHG 1 27 1 M CHG 1 28 -1 M END