B97LFH -OEChem-04012118482D 19 20 0 0 0 0 0 0 0999 V2000 2.8090 -0.1698 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3781 -1.0363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4604 1.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1871 -0.4485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8781 0.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8781 0.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4659 1.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -1.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -1.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5137 1.0041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6368 1.9075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9086 1.5833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6734 -2.2102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9446 -2.2102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -0.5660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8248 1.7086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 9 1 0 0 0 0 3 19 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 M END $$$$