B9JES7 -OEChem-04022106223D 45 48 0 0 0 0 0 0 0999 V2000 -3.6576 1.2331 -0.2486 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4866 1.2233 -0.4149 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8398 1.7738 1.6094 O 0 5 0 0 0 0 0 0 0 0 0 0 6.9158 2.3732 -0.5011 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2113 0.5054 -0.0189 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5264 -1.1424 0.2557 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0524 -1.0391 0.0542 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4947 1.6260 0.4133 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.1377 1.7626 -0.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5341 0.5895 0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6350 1.8790 -0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3597 -0.3721 0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9035 0.0928 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4848 -0.0130 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1415 -1.2189 0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0844 0.0705 -0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3668 -2.3808 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3414 -1.0940 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9722 -2.3048 0.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3237 -0.1902 -0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8615 0.0764 -0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -0.6920 -0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2234 0.8259 0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5954 0.5749 0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 -1.4572 -0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1680 -1.7080 -0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5313 -0.9939 -0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6743 2.6824 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3329 1.5240 -1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4870 0.1398 0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6128 0.9141 1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4372 2.5078 0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1556 2.3193 -1.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5025 -1.0146 -0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2422 -1.0010 1.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 1.0395 -0.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8494 -3.3318 0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3912 -3.2097 0.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5076 -1.9242 0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8601 1.8145 0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1355 -2.2674 -0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5191 -2.6986 -0.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7268 -2.0331 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9767 -0.8421 0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0405 -0.3560 -1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 21 2 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 13 2 0 0 0 0 6 15 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 7 39 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 23 2 0 0 0 0 20 25 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M CHG 2 3 -1 8 1 M END $$$$