PUBCHEM-ZINC06175073 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -0.4360 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -1.9590 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6730 -2.3910 0.0240 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6490 -4.1520 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -4.8310 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 -6.2060 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -6.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8310 -6.2400 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8460 -4.8640 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1370 -4.1390 0.0500 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.1840 -4.7600 0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1510 -2.9210 0.0570 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.5920 -8.3560 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 -9.4910 -0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -0.0280 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -0.0190 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 -2.3660 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -2.3760 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 -4.2760 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -6.7320 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7600 -6.7910 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 3 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END