B97IKN -OEChem-04022101463D 37 37 0 1 0 0 0 0 0999 V2000 1.7446 0.0828 -1.6923 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 -2.1567 -0.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5979 2.9445 -0.0379 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4407 -1.1926 1.4106 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8049 -0.1071 -0.8309 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5444 0.9004 0.5922 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2129 0.2001 0.9829 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3746 0.0804 -0.4135 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5287 -1.3561 0.0941 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9091 0.2600 -0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1742 -1.9817 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3312 2.3364 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2735 0.0389 0.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3883 0.0682 -0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7596 -0.1175 0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1548 0.9570 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1451 0.7344 1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3735 0.5107 -0.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1572 -1.3522 0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9401 1.2451 -0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7561 -0.4582 -0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5853 -2.1436 -0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3391 -2.9851 0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4386 -1.6538 1.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 2.9079 0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8171 2.3944 -0.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4584 0.8175 1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3109 -0.9247 1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2159 -0.7245 -1.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3597 1.0238 -1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8909 0.9555 -2.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2834 -3.0509 -0.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4469 3.8597 -0.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9489 0.6828 0.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7964 -1.0704 0.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7990 0.7868 -1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7158 -0.1796 -0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 31 1 0 0 0 0 2 9 1 0 0 0 0 2 32 1 0 0 0 0 3 12 1 0 0 0 0 3 33 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 24 1 0 0 0 0 5 15 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 M END $$$$