-OEChem-01131113492D 40 41 0 0 0 0 0 0 0999 V2000 2.3090 0.1493 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6711 3.5944 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.0779 2.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5847 4.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2644 4.5080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7576 3.1877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -1.3896 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5411 -4.3896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -2.8896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -4.3896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 0.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -2.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -2.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -1.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4901 1.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -3.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 -2.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -3.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 -4.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1984 -2.2819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 -2.9722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3275 0.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4108 1.3050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -0.9934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7607 -0.5211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1587 -1.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3775 -1.7004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0594 2.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9761 1.5252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 -1.7696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -5.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -4.0796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9631 -4.9265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8101 -4.6996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5831 -3.8526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 3.6367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6288 5.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 18 1 0 0 0 0 4 39 1 0 0 0 0 5 40 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 15 2 0 0 0 0 8 19 2 0 0 0 0 8 21 1 0 0 0 0 9 20 1 0 0 0 0 9 21 2 0 0 0 0 10 19 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 18 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 19 1 0 0 0 0 16 20 2 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M CHG 1 7 1 M END > 0 > 1 > 24439481 > 2 > ChemSpider > 1099 > 1099 > http://www.chemspider.com > http://www.chemspider.com/Chemical-Structure.1099.html > 1131 1 > 1 3 $$$$