BJ5BU1 -OEChem-04022115413D 39 42 0 0 0 0 0 0 0999 V2000 4.5672 1.5150 1.3591 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 2.1027 -0.0928 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1852 0.5661 -0.4252 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4171 -1.8569 0.0747 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0033 -2.8716 -0.5832 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 0.2119 -1.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9787 -0.4141 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9482 0.1449 -1.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3732 -0.3145 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2143 0.9258 -2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 1.0688 -0.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 1.1350 0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1893 -1.1368 0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1626 0.4082 -0.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 0.5712 0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5855 1.0237 -1.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9370 -0.9405 1.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9707 -0.6378 -0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7663 -1.7524 1.9942 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1628 2.3581 1.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1376 -1.6544 2.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3492 2.6825 1.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9902 -0.8715 -1.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9635 -2.2635 -1.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6016 -0.8934 -1.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7504 0.4374 -2.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7843 1.4151 -2.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1152 -1.2443 0.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2365 0.4981 -0.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4123 -0.3044 -0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2074 1.5802 -2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0065 -0.8771 1.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1449 -2.3081 2.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2926 2.9935 1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5861 -2.1338 3.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5592 3.5492 2.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6584 -0.1452 -1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 -2.0713 0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6034 -2.8599 -1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 22 1 0 0 0 0 2 11 2 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 38 1 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 14 1 0 0 0 0 9 17 2 0 0 0 0 10 16 1 0 0 0 0 10 27 1 0 0 0 0 12 15 2 0 0 0 0 12 20 1 0 0 0 0 13 19 1 0 0 0 0 13 28 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 15 18 1 0 0 0 0 16 31 1 0 0 0 0 17 21 1 0 0 0 0 17 32 1 0 0 0 0 18 23 2 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$