B3EJA6 -OEChem-04042102293D 27 29 0 0 0 0 0 0 0999 V2000 -0.5146 -0.8773 -0.0024 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8963 -1.3236 0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0571 1.5554 0.0013 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2773 0.2448 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8302 -0.5025 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8768 0.8854 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5428 1.3544 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7229 0.1878 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0457 -2.2473 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4135 0.1579 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4181 0.1637 -1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8072 0.1040 1.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8119 0.1096 -1.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0580 -0.6368 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 0.7449 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5064 0.0797 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2166 2.3858 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5505 -2.4117 0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8933 -2.9364 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5556 -2.4060 -0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8828 0.1756 2.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 0.1861 -2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3481 0.0804 2.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3565 0.0905 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9563 -1.2449 0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0962 1.2492 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 0.0375 0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 2 5 2 0 0 0 0 2 14 1 0 0 0 0 3 6 2 0 0 0 0 3 15 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 17 1 0 0 0 0 8 10 2 0 0 0 0 8 11 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 10 12 1 0 0 0 0 10 21 1 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 12 16 2 0 0 0 0 12 23 1 0 0 0 0 13 16 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 M END $$$$