BJU2G4 -OEChem-04022109533D 53 54 0 0 0 0 0 0 0999 V2000 -3.4681 -0.0250 1.2129 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4516 1.6991 -0.8982 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7280 -0.8647 -0.1822 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8494 0.1317 -0.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0940 -0.7601 -0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7034 -0.4033 0.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2320 -0.2372 -1.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5018 0.5320 0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4607 0.9041 0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1729 -0.3317 0.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3135 -0.3908 -0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 0.2920 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6904 0.1117 -0.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1794 0.2804 0.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 1.2007 -0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1525 -0.6283 1.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1806 0.6139 -0.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4677 -1.1172 -1.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -1.2345 1.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5855 1.8068 -0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5301 -0.9232 0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8965 1.4955 0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0387 -0.2171 -0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7457 -1.9348 -1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1244 1.1352 -0.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5057 0.2397 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8191 -1.7698 -0.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4464 -0.8510 0.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4018 -1.3982 0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0366 -0.5381 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4909 0.7852 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9062 -0.1982 -2.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1881 0.6439 -0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7793 1.5126 0.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0648 -1.3135 -0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3319 -0.5880 1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6934 0.3851 -1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8774 1.0436 0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0041 2.1522 -0.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3911 -1.5744 1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2493 -2.1421 -1.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8366 -1.1466 -0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2688 -0.7282 -1.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0203 -2.1902 1.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3863 2.7651 -0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2952 -1.6610 0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6618 2.2416 0.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0517 0.5409 0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3155 0.2635 -1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8150 -0.9468 0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8053 -2.4941 -1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5268 -2.6654 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9370 -1.5567 -2.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 2 17 2 0 0 0 0 3 13 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 18 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 12 21 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 2 0 0 0 0 14 22 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 21 2 0 0 0 0 19 44 1 0 0 0 0 20 22 2 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 M END $$$$