PUBCHEM-ZINC06404475 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 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 0.0230 -0.7010 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0820 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7700 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0690 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6880 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.8000 -2.4970 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0010 -2.1840 -3.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -4.0180 -2.5050 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0580 -4.1290 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.7840 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -6.3000 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -7.0020 2.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -8.5180 2.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -9.1900 3.4920 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9190 -9.5610 4.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -10.1460 5.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -10.1210 5.3060 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -10.4690 5.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -9.5260 4.1500 C 0 0 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 0.0250 -0.1640 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6250 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1410 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -4.4820 1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -4.5070 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 -6.6020 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -6.5780 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -6.7000 2.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 -6.7240 2.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -8.8200 1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -8.7950 1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -9.4160 3.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -10.5550 6.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 -9.3550 3.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 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 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 38 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M CHG 1 16 1 M END