COMPND HMDB0014619 HETATM 1 C1 UNL 1 -3.675 -2.249 0.338 1.00 0.00 C HETATM 2 N1 UNL 1 -2.237 -2.236 0.506 1.00 0.00 N HETATM 3 C2 UNL 1 -1.848 -1.365 1.610 1.00 0.00 C HETATM 4 C3 UNL 1 -2.126 0.091 1.266 1.00 0.00 C HETATM 5 C4 UNL 1 -1.345 0.484 0.038 1.00 0.00 C HETATM 6 O1 UNL 1 0.023 0.360 0.175 1.00 0.00 O HETATM 7 C5 UNL 1 0.924 -0.370 -0.521 1.00 0.00 C HETATM 8 C6 UNL 1 0.555 -1.174 -1.568 1.00 0.00 C HETATM 9 C7 UNL 1 1.522 -1.901 -2.246 1.00 0.00 C HETATM 10 C8 UNL 1 2.838 -1.818 -1.874 1.00 0.00 C HETATM 11 C9 UNL 1 3.238 -1.011 -0.819 1.00 0.00 C HETATM 12 C10 UNL 1 4.562 -0.921 -0.437 1.00 0.00 C HETATM 13 C11 UNL 1 4.940 -0.121 0.605 1.00 0.00 C HETATM 14 C12 UNL 1 3.980 0.602 1.279 1.00 0.00 C HETATM 15 C13 UNL 1 2.672 0.500 0.888 1.00 0.00 C HETATM 16 C14 UNL 1 2.254 -0.310 -0.175 1.00 0.00 C HETATM 17 C15 UNL 1 -1.641 1.923 -0.306 1.00 0.00 C HETATM 18 C16 UNL 1 -1.116 3.051 0.262 1.00 0.00 C HETATM 19 C17 UNL 1 -1.534 4.233 -0.215 1.00 0.00 C HETATM 20 C18 UNL 1 -2.451 4.210 -1.232 1.00 0.00 C HETATM 21 S1 UNL 1 -2.701 2.545 -1.488 1.00 0.00 S HETATM 22 H1 UNL 1 -4.220 -2.140 1.294 1.00 0.00 H HETATM 23 H2 UNL 1 -4.028 -3.210 -0.116 1.00 0.00 H HETATM 24 H3 UNL 1 -3.978 -1.436 -0.357 1.00 0.00 H HETATM 25 H4 UNL 1 -1.957 -3.207 0.782 1.00 0.00 H HETATM 26 H5 UNL 1 -0.779 -1.476 1.858 1.00 0.00 H HETATM 27 H6 UNL 1 -2.426 -1.692 2.493 1.00 0.00 H HETATM 28 H7 UNL 1 -3.218 0.185 1.121 1.00 0.00 H HETATM 29 H8 UNL 1 -1.839 0.740 2.105 1.00 0.00 H HETATM 30 H9 UNL 1 -1.742 -0.112 -0.805 1.00 0.00 H HETATM 31 H10 UNL 1 -0.492 -1.269 -1.898 1.00 0.00 H HETATM 32 H11 UNL 1 1.191 -2.527 -3.068 1.00 0.00 H HETATM 33 H12 UNL 1 3.602 -2.387 -2.404 1.00 0.00 H HETATM 34 H13 UNL 1 5.271 -1.515 -1.007 1.00 0.00 H HETATM 35 H14 UNL 1 5.972 -0.067 0.881 1.00 0.00 H HETATM 36 H15 UNL 1 4.321 1.219 2.095 1.00 0.00 H HETATM 37 H16 UNL 1 1.949 1.084 1.442 1.00 0.00 H HETATM 38 H17 UNL 1 -0.371 2.992 1.089 1.00 0.00 H HETATM 39 H18 UNL 1 -1.185 5.225 0.159 1.00 0.00 H HETATM 40 H19 UNL 1 -2.910 5.071 -1.750 1.00 0.00 H CONECT 1 2 22 23 24 CONECT 2 3 25 CONECT 3 4 26 27 CONECT 4 5 28 29 CONECT 5 6 17 30 CONECT 6 7 CONECT 7 8 8 16 CONECT 8 9 31 CONECT 9 10 10 32 CONECT 10 11 33 CONECT 11 12 12 16 CONECT 12 13 34 CONECT 13 14 14 35 CONECT 14 15 36 CONECT 15 16 16 37 CONECT 17 18 18 21 CONECT 18 19 38 CONECT 19 20 20 39 CONECT 20 21 40 END