B1PBD8 -OEChem-04022115543D 39 40 0 0 0 0 0 0 0999 V2000 -2.6790 -0.4761 -1.0027 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5269 -0.8736 -0.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4614 -3.3970 1.1172 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1336 -0.6900 -0.9358 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0528 -0.4120 -2.3298 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4785 -2.6858 0.4776 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2214 -2.7830 0.9308 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2425 -0.4699 0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2601 0.5826 -0.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8118 -0.1561 -0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6956 0.2558 0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8328 -1.2116 0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6551 1.3645 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8552 -1.6542 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4907 -1.7130 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4536 1.1324 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3759 1.9319 -0.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3532 1.5869 0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1976 3.1862 -0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 2.8410 1.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0971 3.6407 0.9098 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5364 -1.4467 -0.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2789 -0.5558 1.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2137 0.6850 -1.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9736 1.5545 0.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7545 -0.0890 -1.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 0.8283 0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7462 0.1166 1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0100 -0.6861 -0.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8587 -1.2417 1.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1214 -2.1924 -0.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6483 1.5115 -1.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3850 2.3118 0.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6760 1.1109 0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6607 1.5951 -1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1937 0.9773 1.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3574 3.8080 -0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8738 3.1941 2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9578 4.6168 1.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 6 14 2 0 0 0 0 7 15 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$