COMPND HMDB0015533 HETATM 1 N1 UNL 1 6.498 1.271 -0.653 1.00 0.00 N HETATM 2 C1 UNL 1 5.559 0.674 -0.310 1.00 0.00 C HETATM 3 C2 UNL 1 4.350 -0.065 0.137 1.00 0.00 C HETATM 4 C3 UNL 1 3.177 0.362 -0.715 1.00 0.00 C HETATM 5 N2 UNL 1 1.939 -0.240 -0.370 1.00 0.00 N HETATM 6 C4 UNL 1 1.596 -1.516 -0.933 1.00 0.00 C HETATM 7 O1 UNL 1 2.237 -1.863 -1.913 1.00 0.00 O HETATM 8 C5 UNL 1 0.541 -2.443 -0.436 1.00 0.00 C HETATM 9 O2 UNL 1 0.521 -3.543 -1.276 1.00 0.00 O HETATM 10 N3 UNL 1 -0.769 -1.786 -0.517 1.00 0.00 N HETATM 11 C6 UNL 1 -1.135 -0.596 -0.095 1.00 0.00 C HETATM 12 C7 UNL 1 -2.500 -0.195 -0.320 1.00 0.00 C HETATM 13 C8 UNL 1 -3.338 -1.236 -0.761 1.00 0.00 C HETATM 14 C9 UNL 1 -4.622 -1.024 -1.143 1.00 0.00 C HETATM 15 C10 UNL 1 -5.127 0.258 -1.098 1.00 0.00 C HETATM 16 C11 UNL 1 -4.329 1.290 -0.674 1.00 0.00 C HETATM 17 C12 UNL 1 -3.026 1.056 -0.292 1.00 0.00 C HETATM 18 F1 UNL 1 -2.255 2.149 -0.013 1.00 0.00 F HETATM 19 C13 UNL 1 -0.279 0.254 0.696 1.00 0.00 C HETATM 20 C14 UNL 1 -0.978 0.905 1.690 1.00 0.00 C HETATM 21 C15 UNL 1 -0.319 1.811 2.498 1.00 0.00 C HETATM 22 CL1 UNL 1 -1.250 2.617 3.743 1.00 0.00 CL HETATM 23 C16 UNL 1 1.033 2.043 2.295 1.00 0.00 C HETATM 24 C17 UNL 1 1.774 1.407 1.315 1.00 0.00 C HETATM 25 C18 UNL 1 1.104 0.517 0.532 1.00 0.00 C HETATM 26 H1 UNL 1 4.629 -1.143 -0.125 1.00 0.00 H HETATM 27 H2 UNL 1 4.250 0.040 1.208 1.00 0.00 H HETATM 28 H3 UNL 1 3.489 0.055 -1.762 1.00 0.00 H HETATM 29 H4 UNL 1 3.142 1.474 -0.674 1.00 0.00 H HETATM 30 H5 UNL 1 0.700 -2.753 0.595 1.00 0.00 H HETATM 31 H6 UNL 1 0.236 -3.340 -2.188 1.00 0.00 H HETATM 32 H7 UNL 1 -2.976 -2.267 -0.810 1.00 0.00 H HETATM 33 H8 UNL 1 -5.259 -1.862 -1.486 1.00 0.00 H HETATM 34 H9 UNL 1 -6.152 0.399 -1.405 1.00 0.00 H HETATM 35 H10 UNL 1 -4.754 2.311 -0.646 1.00 0.00 H HETATM 36 H11 UNL 1 -2.027 0.626 1.823 1.00 0.00 H HETATM 37 H12 UNL 1 1.512 2.756 2.942 1.00 0.00 H HETATM 38 H13 UNL 1 2.806 1.597 1.140 1.00 0.00 H CONECT 1 2 2 2 CONECT 2 3 CONECT 3 4 26 27 CONECT 4 5 28 29 CONECT 5 6 25 CONECT 6 7 7 8 CONECT 8 9 10 30 CONECT 9 31 CONECT 10 11 11 CONECT 11 12 19 CONECT 12 13 13 17 CONECT 13 14 32 CONECT 14 15 15 33 CONECT 15 16 34 CONECT 16 17 17 35 CONECT 17 18 CONECT 19 20 20 25 CONECT 20 21 36 CONECT 21 22 23 23 CONECT 23 24 37 CONECT 24 25 25 38 END