PUBCHEM-ZINC03591038 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 44 0 0 1 0 0 0 0 0999 V2000 0.0600 1.5130 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.0090 -0.0490 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3920 -0.4470 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.4950 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -0.9580 1.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 -0.3540 -0.8540 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6890 -0.7100 -0.8570 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7810 -1.7210 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5040 0.2720 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 -0.6870 -2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 -0.2650 -3.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -0.5130 1.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 -0.5570 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9050 -0.1790 0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8970 -1.1360 2.2560 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3470 -2.0100 2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 -0.0510 3.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6040 -0.5420 4.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 0.5770 5.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 0.1130 7.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 1.8780 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 1.8860 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 1.9620 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 -0.0020 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 0.3000 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4250 1.2900 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5650 0.0000 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -0.8470 1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 0.7790 2.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 0.3730 3.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 -1.3920 5.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 -0.8910 4.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1660 1.4350 5.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 0.9220 5.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 -0.7100 7.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 -0.1790 6.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4360 -1.0910 -2.4570 O 0 5 0 0 0 0 0 0 0 0 0 0 4.1450 1.2330 8.0120 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5430 0.9500 8.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1820 1.5480 8.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 2.0480 7.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2590 -1.6240 1.8530 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7360 -0.8740 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 -2.4000 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 -1.9370 2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 M CHG 1 37 -1 M CHG 1 38 1 M CHG 1 42 1 M END