BB3QZ8 -OEChem-04022107463D 32 31 0 1 0 0 0 0 0999 V2000 0.2463 2.5933 -0.4414 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2086 1.6909 1.6393 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0796 -0.8872 1.4897 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8818 -1.1871 -0.6176 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5474 -1.7001 0.5264 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9606 0.3238 -1.7073 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7292 0.0805 -0.3841 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2612 0.2044 -0.2952 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5203 -0.6140 0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0438 -0.5632 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8414 0.1038 -0.2638 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3264 0.1767 -0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 1.5462 0.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0393 -0.7290 0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5767 -0.6039 -0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0563 -0.4352 -0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2683 0.4035 -1.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -1.5800 -0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4955 -0.8520 1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0146 -1.5246 -0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0853 -0.8071 1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9164 1.0686 0.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3373 0.3597 -1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3813 1.1461 0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8421 0.7959 -1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2319 0.9623 -2.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6495 0.9726 -0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2259 3.4548 0.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8562 -1.4155 1.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4333 -0.8634 -1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6973 0.3952 0.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0423 -1.2018 0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 28 1 0 0 0 0 2 13 2 0 0 0 0 3 14 1 0 0 0 0 3 29 1 0 0 0 0 4 14 2 0 0 0 0 5 15 2 0 0 0 0 6 11 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 12 15 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 M END $$$$