BH4DK5 -OEChem-04022102472D 44 46 0 1 0 0 0 0 0999 V2000 4.5037 -2.6036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3411 -0.2766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8853 -2.2735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6875 2.2718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9974 2.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6027 -1.1697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0037 0.5871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3802 -0.1947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3899 -0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 -1.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0037 0.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5037 -1.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4047 -1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6272 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1572 -1.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6177 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1549 -1.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3867 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5599 0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5143 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6590 -3.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7331 1.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9063 3.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0451 0.5864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5085 0.5004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7972 0.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4584 -0.7208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 -1.5295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2929 -2.0984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1189 -2.1742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7347 1.1457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0123 -2.4927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7487 0.7336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4804 1.3141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9406 0.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5938 0.3827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1337 0.9691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0551 -3.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5188 -3.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2630 -3.3879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5113 3.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0419 3.8526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3013 3.3832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 18 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 23 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 7 12 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 25 1 6 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END $$$$