B45ORD -OEChem-04012112033D 22 22 0 1 0 0 0 0 0999 V2000 -0.1128 -2.1595 0.3849 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3601 -0.8677 -0.3556 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1354 2.0191 0.3322 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2571 -0.0378 0.2429 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0346 -0.8588 -0.1972 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2649 -0.1859 0.2535 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1038 1.4299 -0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3009 1.2854 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -0.6248 -0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3346 -0.0849 1.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0334 -0.9930 -1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3825 -0.2886 1.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1353 1.5221 -1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9476 2.0105 0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2103 1.7484 0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3813 1.3761 -1.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1968 2.9902 0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7018 -1.6543 0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4181 -0.0384 0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5427 -0.6291 -1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6825 -2.6482 0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1774 -0.4336 -0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 21 1 0 0 0 0 2 6 1 0 0 0 0 2 22 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 17 1 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 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 M END $$$$