B97CJG -OEChem-04012113573D 28 30 0 0 0 0 0 0 0999 V2000 -0.2391 -1.0086 -0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8527 2.5120 -0.0166 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9224 2.7024 -0.0034 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2401 0.3655 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5385 0.1383 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6034 -0.8736 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 -0.1471 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.3919 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4199 1.5866 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 0.4421 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3591 -2.0464 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6733 -0.2756 1.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 -0.2891 -1.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3887 -0.7323 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7523 -1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0419 -0.5455 1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0333 -0.5591 -1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7217 -0.6873 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1486 1.3993 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8715 -3.0175 -0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1569 -0.1681 2.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.1923 -2.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4737 -0.6798 0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3427 -2.8859 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5780 -0.6454 2.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5629 -0.6696 -2.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7873 -0.8975 -0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 2.2485 -0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 8 1 0 0 0 0 2 28 1 0 0 0 0 3 9 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 11 2 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 12 16 1 0 0 0 0 12 21 1 0 0 0 0 13 17 2 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 18 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 M END $$$$