B2BOJ3 -OEChem-04012113173D 42 44 0 0 0 0 0 0 0999 V2000 -7.8651 0.5256 -1.1377 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.8656 0.7274 1.0217 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.8453 -1.2500 0.1175 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8133 -2.2881 0.2104 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8725 3.5386 -0.3111 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 -3.5828 0.3332 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8576 2.3938 -0.2229 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1988 -0.0043 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6456 -0.0055 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 -0.0017 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0377 -0.0004 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5025 1.0936 0.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5003 -1.1010 -0.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8924 1.0949 0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8946 -1.0997 -0.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3443 1.1967 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3423 -1.2090 0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7391 1.1956 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7372 -1.2101 0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7344 0.6980 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 -0.6974 -0.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8275 0.0021 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4356 -0.0079 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1292 0.6993 0.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1308 -0.6962 -0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3188 0.0037 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4669 2.4495 -0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4636 -2.4646 0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0023 1.9586 0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9984 -1.9670 -0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3913 1.9815 0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3953 -1.9856 -0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8216 2.1418 -0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8222 -2.1558 0.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2344 1.2290 1.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2375 -1.2293 -1.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5166 -0.0359 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6546 1.2433 1.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6667 -1.2363 -1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4255 1.5596 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3860 3.2579 -0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2938 -3.1397 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 4 28 1 0 0 0 0 4 42 1 0 0 0 0 5 27 2 0 0 0 0 6 28 2 0 0 0 0 7 27 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 16 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 20 2 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 13 15 2 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 23 2 0 0 0 0 18 27 1 0 0 0 0 19 23 1 0 0 0 0 19 28 1 0 0 0 0 20 24 1 0 0 0 0 20 35 1 0 0 0 0 21 25 2 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$