COMPND HMDB0003178 HETATM 1 C1 UNL 1 -3.801 -3.748 -2.090 1.00 0.00 C HETATM 2 C2 UNL 1 -3.782 -2.784 -2.995 1.00 0.00 C HETATM 3 C3 UNL 1 -2.863 -1.645 -2.800 1.00 0.00 C HETATM 4 C4 UNL 1 -2.728 -0.586 -3.633 1.00 0.00 C HETATM 5 C5 UNL 1 -3.499 -0.395 -4.906 1.00 0.00 C HETATM 6 C6 UNL 1 -2.080 0.471 -2.812 1.00 0.00 C HETATM 7 C7 UNL 1 -2.130 1.764 -2.840 1.00 0.00 C HETATM 8 C8 UNL 1 -1.405 2.654 -1.925 1.00 0.00 C HETATM 9 C9 UNL 1 -1.638 4.012 -1.617 1.00 0.00 C HETATM 10 C10 UNL 1 -2.258 4.993 -2.543 1.00 0.00 C HETATM 11 C11 UNL 1 -2.382 4.591 -3.816 1.00 0.00 C HETATM 12 C12 UNL 1 -0.577 4.362 -0.747 1.00 0.00 C HETATM 13 C13 UNL 1 -0.066 5.746 -0.551 1.00 0.00 C HETATM 14 C14 UNL 1 0.126 3.184 -0.451 1.00 0.00 C HETATM 15 N1 UNL 1 -0.832 2.259 -0.726 1.00 0.00 N HETATM 16 FE1 UNL 1 -0.350 0.423 -0.567 1.00 0.00 FE2- HETATM 17 N2 UNL 1 -0.736 -0.565 0.973 1.00 0.00 N HETATM 18 C15 UNL 1 -1.865 -1.333 0.931 1.00 0.00 C HETATM 19 C16 UNL 1 -1.716 -2.015 2.160 1.00 0.00 C HETATM 20 C17 UNL 1 -2.802 -2.718 2.918 1.00 0.00 C HETATM 21 C18 UNL 1 -0.357 -2.043 2.463 1.00 0.00 C HETATM 22 C19 UNL 1 0.347 -2.939 3.436 1.00 0.00 C HETATM 23 C20 UNL 1 0.429 -4.306 2.744 1.00 0.00 C HETATM 24 C21 UNL 1 1.109 -5.319 3.585 1.00 0.00 C HETATM 25 O1 UNL 1 0.485 -5.921 4.518 1.00 0.00 O HETATM 26 O2 UNL 1 2.480 -5.102 3.826 1.00 0.00 O HETATM 27 C22 UNL 1 0.282 -1.357 1.431 1.00 0.00 C HETATM 28 C23 UNL 1 1.564 -1.313 1.118 1.00 0.00 C HETATM 29 C24 UNL 1 2.125 -0.350 0.177 1.00 0.00 C HETATM 30 N3 UNL 1 1.514 0.495 -0.589 1.00 0.00 N1+ HETATM 31 C25 UNL 1 2.141 1.773 -0.411 1.00 0.00 C HETATM 32 C26 UNL 1 1.568 2.963 -0.346 1.00 0.00 C HETATM 33 C27 UNL 1 3.541 1.390 -0.244 1.00 0.00 C HETATM 34 C28 UNL 1 4.712 2.333 -0.221 1.00 0.00 C HETATM 35 C29 UNL 1 3.547 0.089 0.120 1.00 0.00 C HETATM 36 C30 UNL 1 4.746 -0.772 -0.028 1.00 0.00 C HETATM 37 C31 UNL 1 5.409 -1.174 1.243 1.00 0.00 C HETATM 38 C32 UNL 1 4.629 -1.937 2.199 1.00 0.00 C HETATM 39 O3 UNL 1 4.513 -3.189 2.013 1.00 0.00 O HETATM 40 O4 UNL 1 4.134 -1.399 3.401 1.00 0.00 O HETATM 41 C33 UNL 1 -2.572 -1.689 -0.130 1.00 0.00 C HETATM 42 C34 UNL 1 -2.244 -1.299 -1.495 1.00 0.00 C HETATM 43 N4 UNL 1 -1.374 -0.391 -1.881 1.00 0.00 N1+ HETATM 44 H1 UNL 1 -4.482 -4.577 -2.251 1.00 0.00 H HETATM 45 H2 UNL 1 -2.926 -3.973 -1.502 1.00 0.00 H HETATM 46 H3 UNL 1 -4.596 -2.634 -3.682 1.00 0.00 H HETATM 47 H4 UNL 1 -4.378 0.219 -4.626 1.00 0.00 H HETATM 48 H5 UNL 1 -3.868 -1.379 -5.207 1.00 0.00 H HETATM 49 H6 UNL 1 -2.865 0.103 -5.662 1.00 0.00 H HETATM 50 H7 UNL 1 -2.812 2.214 -3.582 1.00 0.00 H HETATM 51 H8 UNL 1 -3.198 5.407 -2.143 1.00 0.00 H HETATM 52 H9 UNL 1 -2.843 5.321 -4.502 1.00 0.00 H HETATM 53 H10 UNL 1 -1.532 4.074 -4.291 1.00 0.00 H HETATM 54 H11 UNL 1 -0.398 6.415 -1.394 1.00 0.00 H HETATM 55 H12 UNL 1 -0.464 6.206 0.386 1.00 0.00 H HETATM 56 H13 UNL 1 1.037 5.792 -0.550 1.00 0.00 H HETATM 57 H14 UNL 1 -2.574 -2.618 4.017 1.00 0.00 H HETATM 58 H15 UNL 1 -3.770 -2.244 2.701 1.00 0.00 H HETATM 59 H16 UNL 1 -2.831 -3.786 2.610 1.00 0.00 H HETATM 60 H17 UNL 1 -0.284 -3.033 4.338 1.00 0.00 H HETATM 61 H18 UNL 1 1.337 -2.541 3.651 1.00 0.00 H HETATM 62 H19 UNL 1 -0.614 -4.682 2.539 1.00 0.00 H HETATM 63 H20 UNL 1 0.886 -4.206 1.744 1.00 0.00 H HETATM 64 H21 UNL 1 2.696 -4.700 4.747 1.00 0.00 H HETATM 65 H22 UNL 1 2.113 -2.286 1.051 1.00 0.00 H HETATM 66 H23 UNL 1 2.129 3.799 0.109 1.00 0.00 H HETATM 67 H24 UNL 1 4.450 3.196 -0.852 1.00 0.00 H HETATM 68 H25 UNL 1 4.800 2.707 0.814 1.00 0.00 H HETATM 69 H26 UNL 1 5.617 1.863 -0.626 1.00 0.00 H HETATM 70 H27 UNL 1 5.508 -0.267 -0.682 1.00 0.00 H HETATM 71 H28 UNL 1 4.535 -1.728 -0.581 1.00 0.00 H HETATM 72 H29 UNL 1 6.290 -1.819 0.937 1.00 0.00 H HETATM 73 H30 UNL 1 5.886 -0.312 1.762 1.00 0.00 H HETATM 74 H31 UNL 1 3.541 -0.558 3.360 1.00 0.00 H HETATM 75 H32 UNL 1 -3.488 -2.247 0.068 1.00 0.00 H CONECT 1 2 2 44 45 CONECT 2 3 46 CONECT 3 4 4 42 CONECT 4 5 6 CONECT 5 47 48 49 CONECT 6 7 7 43 CONECT 7 8 50 CONECT 8 9 9 15 CONECT 9 10 12 CONECT 10 11 11 51 CONECT 11 52 53 CONECT 12 13 14 14 CONECT 13 54 55 56 CONECT 14 15 32 CONECT 15 16 CONECT 16 17 30 43 CONECT 17 18 27 CONECT 18 19 41 41 CONECT 19 20 21 21 CONECT 20 57 58 59 CONECT 21 22 27 CONECT 22 23 60 61 CONECT 23 24 62 63 CONECT 24 25 25 26 CONECT 26 64 CONECT 27 28 28 CONECT 28 29 65 CONECT 29 30 30 35 CONECT 30 31 CONECT 31 32 32 33 CONECT 32 66 CONECT 33 34 35 35 CONECT 34 67 68 69 CONECT 35 36 CONECT 36 37 70 71 CONECT 37 38 72 73 CONECT 38 39 39 40 CONECT 40 74 CONECT 41 42 75 CONECT 42 43 43 END