PUBCHEM-ZINC04904967 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.1880 1.4480 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -0.0760 0.0250 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0410 -0.5370 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -0.4320 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -1.9050 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 -2.5790 2.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 -2.5030 -0.1550 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7020 -3.5940 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -2.1440 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 -0.3090 -2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -0.1530 -3.7240 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8640 -1.1410 -4.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 0.6520 -4.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 2.0550 -4.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 2.7890 -5.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 2.1330 -6.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 0.7360 -7.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -0.0060 -5.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 0.0360 -8.1730 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1240 0.7210 -9.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -1.2030 -8.1320 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7620 0.4500 -3.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 -2.0540 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 1.9080 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 1.7640 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 1.8660 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 0.1150 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -0.1660 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -2.4740 -2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -2.6060 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 0.6320 -2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -1.0930 -2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 2.5950 -3.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 3.8760 -5.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 2.7240 -7.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -1.0950 -6.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 0.7910 -3.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -2.3410 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 -2.5230 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 -0.9700 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -0.6450 -1.2960 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3420 -0.1680 -1.5490 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 1 0 0 0 0 2 4 1 0 0 0 0 2 41 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 41 1 M END