COMPND HMDB0260386 HETATM 1 C1 UNL 1 6.781 1.742 -0.589 1.00 0.00 C HETATM 2 C2 UNL 1 6.955 0.601 0.372 1.00 0.00 C HETATM 3 C3 UNL 1 6.042 -0.531 -0.064 1.00 0.00 C HETATM 4 C4 UNL 1 4.656 0.026 -0.028 1.00 0.00 C HETATM 5 O1 UNL 1 4.013 0.138 -1.104 1.00 0.00 O HETATM 6 O2 UNL 1 4.149 0.394 1.197 1.00 0.00 O HETATM 7 C5 UNL 1 2.864 0.918 1.323 1.00 0.00 C HETATM 8 O3 UNL 1 1.898 -0.025 0.905 1.00 0.00 O HETATM 9 C6 UNL 1 0.556 0.365 1.007 1.00 0.00 C HETATM 10 O4 UNL 1 0.375 1.524 1.459 1.00 0.00 O HETATM 11 C7 UNL 1 -0.576 -0.448 0.647 1.00 0.00 C HETATM 12 C8 UNL 1 -0.392 -1.673 0.227 1.00 0.00 C HETATM 13 C9 UNL 1 1.021 -2.166 0.110 1.00 0.00 C HETATM 14 N1 UNL 1 -1.456 -2.661 0.112 1.00 0.00 N HETATM 15 C10 UNL 1 -2.644 -2.320 0.461 1.00 0.00 C HETATM 16 C11 UNL 1 -3.819 -3.260 0.376 1.00 0.00 C HETATM 17 C12 UNL 1 -2.863 -0.999 1.032 1.00 0.00 C HETATM 18 C13 UNL 1 -4.291 -0.576 1.108 1.00 0.00 C HETATM 19 O5 UNL 1 -5.270 -1.236 0.758 1.00 0.00 O HETATM 20 O6 UNL 1 -4.516 0.692 1.625 1.00 0.00 O HETATM 21 C14 UNL 1 -5.765 1.281 1.783 1.00 0.00 C HETATM 22 C15 UNL 1 -1.974 0.121 0.583 1.00 0.00 C HETATM 23 C16 UNL 1 -2.275 0.594 -0.779 1.00 0.00 C HETATM 24 C17 UNL 1 -2.765 -0.238 -1.757 1.00 0.00 C HETATM 25 C18 UNL 1 -2.969 0.171 -3.091 1.00 0.00 C HETATM 26 C19 UNL 1 -2.670 1.458 -3.451 1.00 0.00 C HETATM 27 C20 UNL 1 -2.184 2.314 -2.503 1.00 0.00 C HETATM 28 CL1 UNL 1 -1.807 3.950 -2.993 1.00 0.00 CL HETATM 29 C21 UNL 1 -1.989 1.880 -1.164 1.00 0.00 C HETATM 30 CL2 UNL 1 -1.506 3.140 -0.047 1.00 0.00 CL HETATM 31 H1 UNL 1 6.352 1.424 -1.557 1.00 0.00 H HETATM 32 H2 UNL 1 7.786 2.158 -0.788 1.00 0.00 H HETATM 33 H3 UNL 1 6.180 2.567 -0.126 1.00 0.00 H HETATM 34 H4 UNL 1 6.552 0.921 1.371 1.00 0.00 H HETATM 35 H5 UNL 1 8.007 0.286 0.479 1.00 0.00 H HETATM 36 H6 UNL 1 6.288 -0.832 -1.091 1.00 0.00 H HETATM 37 H7 UNL 1 6.156 -1.436 0.564 1.00 0.00 H HETATM 38 H8 UNL 1 2.743 1.884 0.778 1.00 0.00 H HETATM 39 H9 UNL 1 2.686 1.203 2.399 1.00 0.00 H HETATM 40 H10 UNL 1 1.545 -1.597 -0.680 1.00 0.00 H HETATM 41 H11 UNL 1 0.928 -3.204 -0.356 1.00 0.00 H HETATM 42 H12 UNL 1 1.544 -2.239 1.057 1.00 0.00 H HETATM 43 H13 UNL 1 -3.432 -4.306 0.244 1.00 0.00 H HETATM 44 H14 UNL 1 -4.278 -3.247 1.372 1.00 0.00 H HETATM 45 H15 UNL 1 -4.486 -3.047 -0.456 1.00 0.00 H HETATM 46 H16 UNL 1 -2.579 -1.128 2.133 1.00 0.00 H HETATM 47 H17 UNL 1 -6.208 1.620 0.825 1.00 0.00 H HETATM 48 H18 UNL 1 -6.459 0.666 2.398 1.00 0.00 H HETATM 49 H19 UNL 1 -5.601 2.223 2.382 1.00 0.00 H HETATM 50 H20 UNL 1 -2.087 0.953 1.287 1.00 0.00 H HETATM 51 H21 UNL 1 -3.025 -1.242 -1.492 1.00 0.00 H HETATM 52 H22 UNL 1 -3.360 -0.571 -3.780 1.00 0.00 H HETATM 53 H23 UNL 1 -2.829 1.770 -4.477 1.00 0.00 H CONECT 1 2 31 32 33 CONECT 2 3 34 35 CONECT 3 4 36 37 CONECT 4 5 5 6 CONECT 6 7 CONECT 7 8 38 39 CONECT 8 9 CONECT 9 10 10 11 CONECT 11 12 12 22 CONECT 12 13 14 CONECT 13 40 41 42 CONECT 14 15 15 CONECT 15 16 17 CONECT 16 43 44 45 CONECT 17 18 22 46 CONECT 18 19 19 20 CONECT 20 21 CONECT 21 47 48 49 CONECT 22 23 50 CONECT 23 24 24 29 CONECT 24 25 51 CONECT 25 26 26 52 CONECT 26 27 53 CONECT 27 28 29 29 CONECT 29 30 END