COMPND HMDB0258569 HETATM 1 CL1 UNL 1 5.225 -2.966 -2.060 1.00 0.00 CL HETATM 2 C1 UNL 1 4.329 -1.673 -1.340 1.00 0.00 C HETATM 3 C2 UNL 1 4.085 -0.460 -1.947 1.00 0.00 C HETATM 4 C3 UNL 1 3.368 0.515 -1.308 1.00 0.00 C HETATM 5 C4 UNL 1 2.850 0.324 -0.010 1.00 0.00 C HETATM 6 C5 UNL 1 2.119 1.437 0.640 1.00 0.00 C HETATM 7 S1 UNL 1 0.400 1.528 0.310 1.00 0.00 S HETATM 8 C6 UNL 1 -0.686 0.315 1.014 1.00 0.00 C HETATM 9 C7 UNL 1 -0.616 -1.048 0.457 1.00 0.00 C HETATM 10 N1 UNL 1 -0.889 -1.209 -0.932 1.00 0.00 N HETATM 11 C8 UNL 1 -0.009 -1.160 -1.978 1.00 0.00 C HETATM 12 C9 UNL 1 -0.691 -1.370 -3.153 1.00 0.00 C HETATM 13 N2 UNL 1 -1.958 -1.542 -2.812 1.00 0.00 N HETATM 14 C10 UNL 1 -2.086 -1.447 -1.470 1.00 0.00 C HETATM 15 C11 UNL 1 -2.022 0.868 1.293 1.00 0.00 C HETATM 16 C12 UNL 1 -3.132 0.088 1.348 1.00 0.00 C HETATM 17 C13 UNL 1 -4.393 0.633 1.634 1.00 0.00 C HETATM 18 C14 UNL 1 -4.497 1.968 1.859 1.00 0.00 C HETATM 19 CL2 UNL 1 -6.065 2.681 2.218 1.00 0.00 CL HETATM 20 C15 UNL 1 -3.385 2.789 1.810 1.00 0.00 C HETATM 21 C16 UNL 1 -2.139 2.212 1.522 1.00 0.00 C HETATM 22 CL3 UNL 1 -0.709 3.218 1.453 1.00 0.00 CL HETATM 23 C17 UNL 1 3.101 -0.876 0.571 1.00 0.00 C HETATM 24 C18 UNL 1 3.814 -1.836 -0.072 1.00 0.00 C HETATM 25 H1 UNL 1 4.488 -0.322 -2.949 1.00 0.00 H HETATM 26 H2 UNL 1 3.172 1.474 -1.785 1.00 0.00 H HETATM 27 H3 UNL 1 2.381 1.375 1.735 1.00 0.00 H HETATM 28 H4 UNL 1 2.674 2.374 0.304 1.00 0.00 H HETATM 29 H5 UNL 1 -0.268 0.171 2.111 1.00 0.00 H HETATM 30 H6 UNL 1 0.410 -1.462 0.665 1.00 0.00 H HETATM 31 H7 UNL 1 -1.341 -1.709 1.019 1.00 0.00 H HETATM 32 H8 UNL 1 1.025 -0.988 -1.849 1.00 0.00 H HETATM 33 H9 UNL 1 -0.308 -1.396 -4.157 1.00 0.00 H HETATM 34 H10 UNL 1 -3.075 -1.569 -1.026 1.00 0.00 H HETATM 35 H11 UNL 1 -3.130 -0.974 1.198 1.00 0.00 H HETATM 36 H12 UNL 1 -5.282 0.023 1.679 1.00 0.00 H HETATM 37 H13 UNL 1 -3.459 3.850 1.987 1.00 0.00 H HETATM 38 H14 UNL 1 2.717 -1.056 1.567 1.00 0.00 H HETATM 39 H15 UNL 1 3.979 -2.780 0.454 1.00 0.00 H CONECT 1 2 CONECT 2 3 3 24 CONECT 3 4 25 CONECT 4 5 5 26 CONECT 5 6 23 CONECT 6 7 27 28 CONECT 7 8 CONECT 8 9 15 29 CONECT 9 10 30 31 CONECT 10 11 14 CONECT 11 12 12 32 CONECT 12 13 33 CONECT 13 14 14 CONECT 14 34 CONECT 15 16 16 21 CONECT 16 17 35 CONECT 17 18 18 36 CONECT 18 19 20 CONECT 20 21 21 37 CONECT 21 22 CONECT 23 24 24 38 CONECT 24 39 END