BJ3B2V -OEChem-04022105563D 43 46 0 0 0 0 0 0 0999 V2000 5.1529 -2.2466 0.4195 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1207 0.4565 -2.4291 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2512 -3.0702 -0.0504 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2394 -1.5593 1.6927 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7118 -1.1572 -0.8395 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2091 2.3179 1.1616 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6191 0.9292 -0.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0335 2.0007 0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9283 1.0514 -0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2621 0.8213 -1.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0793 2.1356 0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5106 -0.1090 -1.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8156 -0.0912 -0.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9732 0.1261 -0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 3.1746 0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3595 2.0050 0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1259 0.2950 0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 3.2306 0.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2405 0.9659 0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2145 -0.6500 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1934 1.3983 1.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2362 -0.4680 -0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2497 -1.7497 1.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7087 -3.2848 0.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2879 -1.3811 -0.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3016 -2.6628 0.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3207 -2.4785 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1839 -0.9427 -1.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8805 -0.7320 -1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7653 4.0979 0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7266 2.8275 1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5528 4.1912 0.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2591 1.0083 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5356 -1.5952 -1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0643 1.5961 1.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2265 0.3819 -1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4635 -1.9090 1.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8456 -2.6927 0.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5564 -3.7185 -0.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8863 -4.0801 1.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0814 -1.2378 -1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3272 -3.5173 1.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1395 -3.1895 -0.0603 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 5 1 0 0 0 0 1 24 1 0 0 0 0 2 10 2 0 0 0 0 5 13 1 0 0 0 0 5 34 1 0 0 0 0 6 11 1 0 0 0 0 6 21 2 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 19 1 0 0 0 0 14 17 2 0 0 0 0 14 29 1 0 0 0 0 15 18 2 0 0 0 0 15 30 1 0 0 0 0 16 19 2 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 35 1 0 0 0 0 22 25 1 0 0 0 0 22 36 1 0 0 0 0 23 26 2 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$