B96MUS -OEChem-04022113323D 35 38 0 0 0 0 0 0 0999 V2000 -1.3735 1.2725 -0.0179 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1851 -1.2704 0.0172 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7381 -0.4894 -1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1686 -1.0174 -1.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0312 -0.3714 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8880 -0.3503 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 -0.5741 1.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5749 -0.2118 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6515 -0.4230 1.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0011 1.1154 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2233 0.1488 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5923 -1.1117 0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5588 2.3781 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6829 2.6090 -0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5006 3.3167 -0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6143 0.2682 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 -2.2560 0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3937 -0.8882 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7883 -2.1450 0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -1.1542 -1.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7639 0.4993 -1.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1451 -2.1030 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7214 -0.8445 -2.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9721 0.7267 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9093 -0.7382 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5148 0.1344 2.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3521 -1.5814 1.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0839 -0.3577 2.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6164 2.6040 -0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7036 2.9656 -0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4138 4.3941 -0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1147 1.2307 -0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9424 -3.2441 0.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4773 -0.8104 0.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4021 -3.0412 0.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 8 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 9 28 1 0 0 0 0 10 13 2 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 17 2 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 M END $$$$