B97NXL -OEChem-04012112223D 28 29 0 0 0 0 0 0 0999 V2000 4.4051 1.8020 -0.4909 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2864 -0.7706 0.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2436 0.0871 0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6116 -0.2354 -0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1989 0.3879 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1477 1.0968 -0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6673 -1.2002 0.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1872 -0.5297 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5132 0.8113 -0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9554 -0.4798 0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0325 -1.4856 0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0701 0.9604 0.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5191 -1.1491 -0.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4359 1.2426 0.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8851 -0.8667 -0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3434 0.3290 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4318 1.4456 0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8123 2.1058 -0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9871 -2.0077 0.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 -1.5803 -0.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3643 -2.4943 0.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 1.6920 0.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1812 -2.0858 -1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7941 2.1711 0.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5920 -1.5778 -0.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4071 0.5482 0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3021 1.4278 -0.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -1.7108 0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 27 1 0 0 0 0 2 10 1 0 0 0 0 2 28 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 12 2 0 0 0 0 4 13 1 0 0 0 0 5 8 2 0 0 0 0 5 17 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 7 11 2 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 13 15 2 0 0 0 0 13 23 1 0 0 0 0 14 16 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 M END $$$$