B5I3NA -OEChem-04042103053D 26 28 0 0 0 0 0 0 0999 V2000 0.9733 2.6806 0.0536 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6163 -2.4203 -0.1725 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9949 -0.6402 0.1388 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3948 -0.8596 -0.2018 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9221 -0.8703 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9073 -2.0134 0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0509 -1.0417 0.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9446 0.2807 -0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5355 0.1500 -0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1167 1.3349 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3002 1.6081 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5124 1.0660 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6329 -0.3000 -0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5314 2.1024 0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8345 -1.0772 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1276 -1.1122 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0915 -3.0077 0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2299 -1.9863 1.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1323 -0.3682 1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 -1.3840 0.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2978 2.0231 -0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1661 -1.8382 -0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2434 2.1072 -0.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0892 1.9196 1.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1009 3.1061 0.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4554 -2.9283 -0.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 15 1 0 0 0 0 2 26 1 0 0 0 0 3 15 2 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 10 2 0 0 0 0 10 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 M END $$$$