PUBCHEM-ZINC05008620 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.7000 -0.6320 0.0150 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -0.2720 1.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -0.2580 -1.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -2.4270 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 -3.1400 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 -4.5540 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8700 -5.3680 0.0100 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 -6.7230 0.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7710 -4.6860 0.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5590 -5.2700 -1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2140 -6.2070 -2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7540 -6.1310 -3.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6400 -5.1170 -4.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9860 -4.1800 -3.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4490 -4.2600 -1.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2180 -5.0340 -5.5080 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.9140 -5.8590 -6.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9990 -4.1410 -5.7850 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -2.7070 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 -2.7170 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -2.8600 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 -2.8500 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5210 -6.9990 -2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 -6.8620 -4.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6780 -3.3880 -3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 -3.5300 -1.1730 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 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END