B97WLM -OEChem-04022118413D 38 39 0 0 0 0 0 0 0999 V2000 -5.1945 -1.6504 0.5553 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0262 -0.7118 0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7123 2.7117 -0.7536 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7647 0.9936 -0.0415 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 -2.0809 -0.5001 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 3.0587 -0.4859 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0229 2.5999 1.6589 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5166 0.0835 -0.0681 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2815 2.2742 0.4768 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9215 -0.0973 -0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8526 -0.3894 -0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7831 0.9674 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4832 -0.8749 -0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8835 -1.2574 0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1358 0.9431 -0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4395 -1.3684 -0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1973 -0.7928 0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1624 0.7611 0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4495 1.4077 -0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6802 -0.5101 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4803 0.5397 -0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8187 -1.5748 -0.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8193 -2.9957 0.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4868 -2.0365 -0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2218 1.0276 0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6116 -2.2817 0.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3638 1.6355 -0.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8466 -2.2438 -0.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8421 1.5853 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1548 -2.5861 -0.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8802 3.1625 -0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 1.9368 -0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3961 -3.4958 -0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1601 -3.0523 1.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7357 -3.5358 1.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5803 -2.0145 -0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2217 -2.3612 -1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1446 -2.7411 0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 23 1 0 0 0 0 2 20 1 0 0 0 0 2 24 1 0 0 0 0 3 19 1 0 0 0 0 3 31 1 0 0 0 0 4 21 1 0 0 0 0 4 32 1 0 0 0 0 5 13 2 0 0 0 0 6 9 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 25 1 0 0 0 0 9 12 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 12 18 1 0 0 0 0 14 17 2 0 0 0 0 14 26 1 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 16 22 2 0 0 0 0 16 28 1 0 0 0 0 17 21 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 22 30 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M CHG 2 6 -1 9 1 M END $$$$