B1FXU3 -OEChem-04022103043D 26 27 0 0 0 0 0 0 0999 V2000 0.3596 1.3601 -0.0062 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 2.2191 -0.0085 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8594 -1.8622 0.0021 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3613 0.0168 -0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 0.0475 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -0.0693 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4825 -1.3563 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3105 0.8190 1.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4173 0.8041 -1.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -1.2159 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8325 -0.8992 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0719 0.4525 -0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3941 1.0205 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0473 -1.3367 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5747 -1.2620 0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1937 -1.9393 0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2179 -1.9333 -0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4058 0.8150 1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 1.8659 1.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9383 0.3535 2.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5122 0.8111 -1.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 0.3235 -2.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0798 1.8455 -1.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9386 -2.2248 0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3395 0.2912 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9441 -1.9759 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 13 2 0 0 0 0 3 11 1 0 0 0 0 3 14 2 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 14 26 1 0 0 0 0 M END $$$$