COMPND HMDB0060538 HETATM 1 O1 UNL 1 -2.650 -3.656 0.466 1.00 0.00 O HETATM 2 C1 UNL 1 -2.190 -2.496 0.629 1.00 0.00 C HETATM 3 C2 UNL 1 -1.129 -2.294 1.666 1.00 0.00 C HETATM 4 N1 UNL 1 0.069 -1.685 1.105 1.00 0.00 N HETATM 5 C3 UNL 1 0.201 -0.621 0.358 1.00 0.00 C HETATM 6 C4 UNL 1 1.521 -0.245 -0.069 1.00 0.00 C HETATM 7 C5 UNL 1 1.804 0.720 -0.963 1.00 0.00 C HETATM 8 C6 UNL 1 3.113 1.088 -1.260 1.00 0.00 C HETATM 9 C7 UNL 1 4.191 0.480 -0.656 1.00 0.00 C HETATM 10 C8 UNL 1 3.918 -0.519 0.266 1.00 0.00 C HETATM 11 C9 UNL 1 2.634 -0.868 0.549 1.00 0.00 C HETATM 12 C10 UNL 1 -0.911 0.252 0.045 1.00 0.00 C HETATM 13 C11 UNL 1 -0.589 1.589 0.049 1.00 0.00 C HETATM 14 C12 UNL 1 -1.516 2.554 -0.268 1.00 0.00 C HETATM 15 CL1 UNL 1 -1.046 4.259 -0.261 1.00 0.00 CL HETATM 16 C13 UNL 1 -2.807 2.152 -0.595 1.00 0.00 C HETATM 17 C14 UNL 1 -3.191 0.814 -0.609 1.00 0.00 C HETATM 18 C15 UNL 1 -2.202 -0.098 -0.279 1.00 0.00 C HETATM 19 N2 UNL 1 -2.724 -1.445 -0.201 1.00 0.00 N HETATM 20 H1 UNL 1 -0.821 -3.231 2.148 1.00 0.00 H HETATM 21 H2 UNL 1 -1.523 -1.598 2.425 1.00 0.00 H HETATM 22 H3 UNL 1 1.038 1.230 -1.562 1.00 0.00 H HETATM 23 H4 UNL 1 3.314 1.875 -1.988 1.00 0.00 H HETATM 24 H5 UNL 1 5.178 0.799 -0.919 1.00 0.00 H HETATM 25 H6 UNL 1 4.754 -1.016 0.757 1.00 0.00 H HETATM 26 H7 UNL 1 2.417 -1.651 1.271 1.00 0.00 H HETATM 27 H8 UNL 1 0.397 1.869 0.370 1.00 0.00 H HETATM 28 H9 UNL 1 -3.516 2.929 -0.841 1.00 0.00 H HETATM 29 H10 UNL 1 -4.187 0.483 -0.860 1.00 0.00 H HETATM 30 H11 UNL 1 -3.548 -1.669 -0.771 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 19 CONECT 3 4 20 21 CONECT 4 5 5 CONECT 5 6 12 CONECT 6 7 7 11 CONECT 7 8 22 CONECT 8 9 9 23 CONECT 9 10 24 CONECT 10 11 11 25 CONECT 11 26 CONECT 12 13 13 18 CONECT 13 14 27 CONECT 14 15 16 16 CONECT 16 17 28 CONECT 17 18 18 29 CONECT 18 19 CONECT 19 30 END