BP5KQ3 -OEChem-04022111193D 27 27 0 1 0 0 0 0 0999 V2000 4.9643 -0.3252 -0.4637 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9319 -1.7894 0.3299 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0338 -1.8771 -0.9292 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1621 0.4695 -0.0328 N 0 0 1 0 0 0 0 0 0 0 0 0 -1.4201 -0.0094 0.5498 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4625 1.0569 0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 1.9264 -0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7011 2.1094 -0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0133 0.0460 0.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2549 0.0844 -0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7409 -1.3127 -0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4894 -0.3788 0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3516 -0.1522 1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8383 1.5060 1.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3234 0.6929 -0.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4356 2.3598 -0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1286 2.4076 0.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7853 1.9037 -1.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0772 3.1198 -0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1589 0.6464 1.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8873 -0.9924 1.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0957 -0.5595 -1.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4187 1.1043 -0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3586 -1.4050 0.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6649 0.2631 1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1615 -2.6447 -0.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 -0.7675 0.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 27 1 0 0 0 0 2 11 1 0 0 0 0 2 26 1 0 0 0 0 3 11 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 8 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 9 10 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 M END $$$$