B5CWR2 -OEChem-04022110033D 28 29 0 1 0 0 0 0 0999 V2000 3.1778 -2.1601 -0.5417 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5618 -0.2178 -1.1597 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6474 -0.8281 1.6782 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8063 -0.9120 -1.4391 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6203 2.9409 0.2002 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3749 0.6761 -0.1932 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5348 1.7233 0.0814 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0543 0.7647 -0.2441 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7097 0.4889 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0551 -0.0394 0.6655 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6937 -0.8650 -0.5582 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0051 -0.5511 -0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1544 1.8421 0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3308 -0.6880 -0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0716 0.5590 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2586 -2.7337 1.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3601 1.7477 -0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7775 1.3795 1.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1681 -0.2700 1.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7414 0.7757 0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4157 -1.8904 -0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3656 -1.4135 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7591 -0.2624 2.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6890 -1.6921 -2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1708 0.4801 -0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7905 -3.6881 1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2529 -2.8802 1.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7958 -2.0118 1.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 10 1 0 0 0 0 3 23 1 0 0 0 0 4 11 1 0 0 0 0 4 24 1 0 0 0 0 5 13 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 13 1 0 0 0 0 7 15 2 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 14 15 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 M END $$$$