BR2U9I -OEChem-04022111013D 40 41 0 1 0 0 0 0 0999 V2000 -1.3203 1.5970 -0.6681 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9875 -1.5665 -0.7727 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5322 1.9183 -1.8441 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 2.4531 -0.2852 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -1.4902 2.1126 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8805 -0.9211 -1.1886 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 0.8697 -0.4955 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3587 -0.6325 -1.3898 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1813 -0.7033 0.3175 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3474 -0.9131 0.6144 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8856 -0.0982 -0.8191 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1758 1.3954 0.7707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0269 -0.1277 0.8631 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1942 -0.5473 -0.1510 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3062 -1.0570 0.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8608 1.9216 2.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1156 2.1902 0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1149 -0.6879 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8227 -1.1343 -1.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4937 -1.4562 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5808 -0.6229 2.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3546 -0.3873 -0.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6478 -0.5637 -1.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -0.4810 1.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8343 0.2766 0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0482 2.9992 1.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2314 1.7501 2.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8255 1.4373 2.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8915 3.2599 0.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6194 1.9060 -0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8169 2.0805 1.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3594 -2.0009 -2.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2170 -0.6969 -2.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5482 -0.4015 -1.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1203 -2.0868 -0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0970 -2.0630 0.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9234 0.1388 2.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 -0.2710 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4493 -1.5524 2.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4884 1.5466 -0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 14 1 0 0 0 0 2 19 1 0 0 0 0 5 15 2 0 0 0 0 6 18 2 0 0 0 0 7 22 1 0 0 0 0 7 40 1 0 0 0 0 8 22 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$