COMPND HMDB0010326 HETATM 1 N1 UNL 1 -7.453 -0.928 0.198 1.00 0.00 N HETATM 2 C1 UNL 1 -7.518 0.317 -0.513 1.00 0.00 C HETATM 3 C2 UNL 1 -6.278 0.501 -1.393 1.00 0.00 C HETATM 4 C3 UNL 1 -5.114 0.481 -0.438 1.00 0.00 C HETATM 5 C4 UNL 1 -4.483 -0.682 -0.113 1.00 0.00 C HETATM 6 C5 UNL 1 -3.414 -0.760 0.755 1.00 0.00 C HETATM 7 I1 UNL 1 -2.477 -2.590 1.220 1.00 0.00 I HETATM 8 C6 UNL 1 -2.977 0.435 1.314 1.00 0.00 C HETATM 9 O1 UNL 1 -1.906 0.425 2.194 1.00 0.00 O HETATM 10 C7 UNL 1 -0.608 0.577 1.703 1.00 0.00 C HETATM 11 C8 UNL 1 0.489 0.572 2.539 1.00 0.00 C HETATM 12 C9 UNL 1 1.752 0.727 2.001 1.00 0.00 C HETATM 13 I2 UNL 1 3.371 0.704 3.375 1.00 0.00 I HETATM 14 C10 UNL 1 1.968 0.887 0.653 1.00 0.00 C HETATM 15 O2 UNL 1 3.239 1.035 0.187 1.00 0.00 O HETATM 16 C11 UNL 1 4.121 0.027 -0.217 1.00 0.00 C HETATM 17 O3 UNL 1 5.209 -0.084 0.678 1.00 0.00 O HETATM 18 C12 UNL 1 6.023 -1.147 0.324 1.00 0.00 C HETATM 19 C13 UNL 1 7.087 -1.298 1.329 1.00 0.00 C HETATM 20 O4 UNL 1 7.196 -0.547 2.342 1.00 0.00 O HETATM 21 O5 UNL 1 8.022 -2.314 1.164 1.00 0.00 O HETATM 22 C14 UNL 1 6.662 -0.891 -1.030 1.00 0.00 C HETATM 23 O6 UNL 1 6.276 -1.849 -1.971 1.00 0.00 O HETATM 24 C15 UNL 1 6.158 0.451 -1.514 1.00 0.00 C HETATM 25 O7 UNL 1 6.455 1.457 -0.583 1.00 0.00 O HETATM 26 C16 UNL 1 4.648 0.369 -1.587 1.00 0.00 C HETATM 27 O8 UNL 1 4.254 -0.573 -2.545 1.00 0.00 O HETATM 28 C17 UNL 1 0.879 0.893 -0.184 1.00 0.00 C HETATM 29 I3 UNL 1 1.048 1.131 -2.261 1.00 0.00 I HETATM 30 C18 UNL 1 -0.396 0.737 0.364 1.00 0.00 C HETATM 31 C19 UNL 1 -3.592 1.646 1.010 1.00 0.00 C HETATM 32 I4 UNL 1 -2.960 3.457 1.833 1.00 0.00 I HETATM 33 C20 UNL 1 -4.661 1.656 0.132 1.00 0.00 C HETATM 34 C21 UNL 1 -8.722 0.372 -1.361 1.00 0.00 C HETATM 35 O9 UNL 1 -8.961 1.390 -2.069 1.00 0.00 O HETATM 36 O10 UNL 1 -9.631 -0.688 -1.411 1.00 0.00 O HETATM 37 H1 UNL 1 -7.793 -1.696 -0.402 1.00 0.00 H HETATM 38 H2 UNL 1 -7.871 -0.902 1.142 1.00 0.00 H HETATM 39 H3 UNL 1 -7.598 1.140 0.231 1.00 0.00 H HETATM 40 H4 UNL 1 -6.337 1.488 -1.865 1.00 0.00 H HETATM 41 H5 UNL 1 -6.257 -0.344 -2.086 1.00 0.00 H HETATM 42 H6 UNL 1 -4.829 -1.602 -0.551 1.00 0.00 H HETATM 43 H7 UNL 1 0.346 0.447 3.599 1.00 0.00 H HETATM 44 H8 UNL 1 3.641 -0.991 -0.174 1.00 0.00 H HETATM 45 H9 UNL 1 5.442 -2.116 0.307 1.00 0.00 H HETATM 46 H10 UNL 1 7.733 -3.273 0.955 1.00 0.00 H HETATM 47 H11 UNL 1 7.772 -0.831 -0.945 1.00 0.00 H HETATM 48 H12 UNL 1 7.015 -1.900 -2.656 1.00 0.00 H HETATM 49 H13 UNL 1 6.564 0.709 -2.520 1.00 0.00 H HETATM 50 H14 UNL 1 7.254 1.238 -0.049 1.00 0.00 H HETATM 51 H15 UNL 1 4.307 1.399 -1.900 1.00 0.00 H HETATM 52 H16 UNL 1 3.554 -1.180 -2.180 1.00 0.00 H HETATM 53 H17 UNL 1 -1.249 0.741 -0.296 1.00 0.00 H HETATM 54 H18 UNL 1 -5.173 2.572 -0.136 1.00 0.00 H HETATM 55 H19 UNL 1 -10.230 -0.795 -0.580 1.00 0.00 H CONECT 1 2 37 38 CONECT 2 3 34 39 CONECT 3 4 40 41 CONECT 4 5 5 33 CONECT 5 6 42 CONECT 6 7 8 8 CONECT 8 9 31 CONECT 9 10 CONECT 10 11 11 30 CONECT 11 12 43 CONECT 12 13 14 14 CONECT 14 15 28 CONECT 15 16 CONECT 16 17 26 44 CONECT 17 18 CONECT 18 19 22 45 CONECT 19 20 20 21 CONECT 21 46 CONECT 22 23 24 47 CONECT 23 48 CONECT 24 25 26 49 CONECT 25 50 CONECT 26 27 51 CONECT 27 52 CONECT 28 29 30 30 CONECT 30 53 CONECT 31 32 33 33 CONECT 33 54 CONECT 34 35 35 36 CONECT 36 55 END