PUBCHEM-ZINC05179576 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.1860 -0.6850 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 0.0190 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 1.4250 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 2.0990 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 1.8290 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 2.7440 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4650 0.6960 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -0.3630 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 0.6730 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6630 1.8700 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0440 1.8510 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7240 0.6490 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0170 -0.5560 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6230 -0.5430 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6920 -1.7470 -0.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7000 -1.9170 -0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4250 -3.1960 -0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5070 -3.3820 -1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1820 -4.5840 -1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7930 -5.6090 -0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7260 -5.4390 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0390 -4.2350 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3270 -4.7800 -2.7020 N 0 3 0 0 0 0 0 0 0 0 0 0 13.6700 -3.8810 -3.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9250 -5.8410 -2.7100 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -1.7650 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 3.1790 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1380 2.8140 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5950 2.7800 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8040 0.6410 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0720 -1.4720 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0030 -1.1170 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8130 -2.5860 -2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3280 -6.5470 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4300 -6.2430 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9940 -4.0650 0.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1390 -4.3220 0.4270 H 0 0 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 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 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END