BA8DU6 -OEChem-04012112033D 25 26 0 1 0 0 0 0 0999 V2000 1.6372 1.1881 0.0926 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7735 1.1308 -0.8049 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7878 1.5081 1.4979 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4059 0.6181 -0.3464 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4483 2.1920 -0.6016 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7141 -1.3588 0.1850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9203 1.9730 -0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5596 -0.4697 -0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8158 -0.3599 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8451 0.4327 -0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0046 -1.8000 -0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5244 0.4273 0.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1278 -2.8770 -0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -2.6047 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9477 2.1908 0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 2.7085 -0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2573 1.2704 -1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1163 -0.4508 -1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5117 2.3695 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0502 -2.0536 -0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1632 -0.3964 1.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3423 1.3615 1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6065 0.3130 0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4917 -3.8979 -0.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9308 -3.4051 0.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 6 9 1 0 0 0 0 6 14 2 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 13 2 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 M END $$$$