BG3WF2 -OEChem-04042105503D 40 43 0 0 0 0 0 0 0999 V2000 0.6223 2.3787 1.2449 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1512 1.1850 0.0399 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0994 0.3835 0.2421 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4051 1.6482 -0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7744 0.8849 -1.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 2.1863 0.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5637 0.2320 -0.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8687 1.3632 0.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5021 0.7127 0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1506 -1.0227 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3225 0.1869 -0.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2867 -1.9985 -0.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0864 1.5825 1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8523 -1.4347 1.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8296 -0.6904 -1.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9338 -1.6685 -1.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6748 0.5699 -0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 -3.3520 -0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4341 1.9396 1.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1181 -2.7830 1.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2277 1.4381 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6947 -3.7417 0.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9640 0.9569 0.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0844 2.4395 -0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 1.5870 -2.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4519 0.1562 -2.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3707 2.3325 1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8453 3.1319 -0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7603 0.0456 -1.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8510 -0.7017 -0.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5248 1.9679 1.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -0.7065 2.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2711 -0.5545 -2.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6753 -2.2922 -2.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3149 0.1892 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3037 -4.1204 -0.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8615 2.6054 1.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6564 -3.0818 2.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2748 1.7171 -0.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9059 -4.7922 1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 11 17 2 0 0 0 0 12 16 1 0 0 0 0 12 18 2 0 0 0 0 13 19 1 0 0 0 0 13 31 1 0 0 0 0 14 20 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 21 1 0 0 0 0 17 35 1 0 0 0 0 18 22 1 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$