COMPND HMDB0259831 HETATM 1 O1 UNL 1 -3.192 -3.451 -0.353 1.00 0.00 O HETATM 2 C1 UNL 1 -3.626 -2.297 -0.154 1.00 0.00 C HETATM 3 N1 UNL 1 -4.992 -1.887 -0.179 1.00 0.00 N HETATM 4 C2 UNL 1 -5.044 -0.621 0.074 1.00 0.00 C HETATM 5 C3 UNL 1 -6.138 0.227 0.159 1.00 0.00 C HETATM 6 C4 UNL 1 -5.946 1.571 0.447 1.00 0.00 C HETATM 7 C5 UNL 1 -4.678 2.077 0.649 1.00 0.00 C HETATM 8 C6 UNL 1 -3.609 1.206 0.558 1.00 0.00 C HETATM 9 C7 UNL 1 -3.758 -0.123 0.276 1.00 0.00 C HETATM 10 C8 UNL 1 -2.873 -1.082 0.152 1.00 0.00 C HETATM 11 C9 UNL 1 -1.418 -1.056 0.272 1.00 0.00 C HETATM 12 C10 UNL 1 -0.554 -0.090 -0.197 1.00 0.00 C HETATM 13 C11 UNL 1 0.771 -0.419 0.113 1.00 0.00 C HETATM 14 C12 UNL 1 1.875 0.441 -0.274 1.00 0.00 C HETATM 15 C13 UNL 1 1.765 1.651 -0.973 1.00 0.00 C HETATM 16 N2 UNL 1 2.973 2.172 -1.157 1.00 0.00 N HETATM 17 C14 UNL 1 3.893 1.369 -0.614 1.00 0.00 C HETATM 18 C15 UNL 1 5.257 1.488 -0.555 1.00 0.00 C HETATM 19 C16 UNL 1 6.020 0.519 0.067 1.00 0.00 C HETATM 20 C17 UNL 1 5.372 -0.562 0.622 1.00 0.00 C HETATM 21 O2 UNL 1 6.101 -1.557 1.257 1.00 0.00 O HETATM 22 C18 UNL 1 3.999 -0.677 0.560 1.00 0.00 C HETATM 23 C19 UNL 1 3.223 0.277 -0.055 1.00 0.00 C HETATM 24 N3 UNL 1 0.683 -1.569 0.760 1.00 0.00 N HETATM 25 C20 UNL 1 -0.616 -1.991 0.879 1.00 0.00 C HETATM 26 O3 UNL 1 -1.055 -3.152 1.500 1.00 0.00 O HETATM 27 H1 UNL 1 -7.150 -0.124 0.008 1.00 0.00 H HETATM 28 H2 UNL 1 -6.826 2.216 0.508 1.00 0.00 H HETATM 29 H3 UNL 1 -4.574 3.128 0.871 1.00 0.00 H HETATM 30 H4 UNL 1 -2.628 1.614 0.718 1.00 0.00 H HETATM 31 H5 UNL 1 -0.882 0.801 -0.735 1.00 0.00 H HETATM 32 H6 UNL 1 0.826 2.090 -1.310 1.00 0.00 H HETATM 33 H7 UNL 1 3.157 3.074 -1.653 1.00 0.00 H HETATM 34 H8 UNL 1 5.720 2.354 -1.005 1.00 0.00 H HETATM 35 H9 UNL 1 7.088 0.649 0.093 1.00 0.00 H HETATM 36 H10 UNL 1 7.107 -1.494 1.314 1.00 0.00 H HETATM 37 H11 UNL 1 3.534 -1.518 0.996 1.00 0.00 H HETATM 38 H12 UNL 1 1.452 -2.123 1.147 1.00 0.00 H HETATM 39 H13 UNL 1 -1.258 -3.130 2.492 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 10 CONECT 3 4 4 CONECT 4 5 9 CONECT 5 6 6 27 CONECT 6 7 28 CONECT 7 8 8 29 CONECT 8 9 30 CONECT 9 10 10 CONECT 10 11 CONECT 11 12 25 25 CONECT 12 13 13 31 CONECT 13 14 24 CONECT 14 15 15 23 CONECT 15 16 32 CONECT 16 17 33 CONECT 17 18 18 23 CONECT 18 19 34 CONECT 19 20 20 35 CONECT 20 21 22 CONECT 21 36 CONECT 22 23 23 37 CONECT 24 25 38 CONECT 25 26 CONECT 26 39 END