COMPND HMDB0034609 HETATM 1 C1 UNL 1 -5.076 5.540 -0.615 1.00 0.00 C HETATM 2 O1 UNL 1 -4.123 4.594 -1.016 1.00 0.00 O HETATM 3 C2 UNL 1 -4.125 3.286 -0.509 1.00 0.00 C HETATM 4 C3 UNL 1 -3.142 2.395 -0.956 1.00 0.00 C HETATM 5 C4 UNL 1 -3.064 1.096 -0.516 1.00 0.00 C HETATM 6 O2 UNL 1 -2.106 0.220 -0.950 1.00 0.00 O HETATM 7 C5 UNL 1 -1.068 0.417 -1.856 1.00 0.00 C HETATM 8 O3 UNL 1 0.195 0.224 -1.282 1.00 0.00 O HETATM 9 C6 UNL 1 1.172 0.136 -2.276 1.00 0.00 C HETATM 10 C7 UNL 1 2.516 0.454 -1.713 1.00 0.00 C HETATM 11 O4 UNL 1 2.890 -0.411 -0.686 1.00 0.00 O HETATM 12 C8 UNL 1 4.144 -0.095 -0.176 1.00 0.00 C HETATM 13 O5 UNL 1 4.092 0.304 1.163 1.00 0.00 O HETATM 14 C9 UNL 1 5.356 0.736 1.504 1.00 0.00 C HETATM 15 C10 UNL 1 5.346 1.485 2.839 1.00 0.00 C HETATM 16 O6 UNL 1 4.885 0.667 3.859 1.00 0.00 O HETATM 17 C11 UNL 1 6.227 -0.477 1.684 1.00 0.00 C HETATM 18 O7 UNL 1 5.705 -1.304 2.666 1.00 0.00 O HETATM 19 C12 UNL 1 6.335 -1.204 0.365 1.00 0.00 C HETATM 20 O8 UNL 1 7.393 -0.683 -0.406 1.00 0.00 O HETATM 21 C13 UNL 1 5.055 -1.255 -0.408 1.00 0.00 C HETATM 22 O9 UNL 1 5.377 -1.260 -1.778 1.00 0.00 O HETATM 23 C14 UNL 1 1.127 -1.279 -2.802 1.00 0.00 C HETATM 24 O10 UNL 1 1.506 -2.100 -1.721 1.00 0.00 O HETATM 25 C15 UNL 1 -0.296 -1.572 -3.211 1.00 0.00 C HETATM 26 O11 UNL 1 -0.769 -2.602 -2.384 1.00 0.00 O HETATM 27 C16 UNL 1 -1.231 -0.416 -3.108 1.00 0.00 C HETATM 28 O12 UNL 1 -1.238 0.380 -4.257 1.00 0.00 O HETATM 29 C17 UNL 1 -4.030 0.693 0.419 1.00 0.00 C HETATM 30 C18 UNL 1 -4.984 1.581 0.844 1.00 0.00 C HETATM 31 C19 UNL 1 -5.062 2.884 0.402 1.00 0.00 C HETATM 32 C20 UNL 1 -5.949 1.209 1.766 1.00 0.00 C HETATM 33 C21 UNL 1 -5.902 -0.086 2.231 1.00 0.00 C HETATM 34 O13 UNL 1 -6.845 -0.526 3.162 1.00 0.00 O HETATM 35 C22 UNL 1 -4.946 -0.991 1.812 1.00 0.00 C HETATM 36 C23 UNL 1 -4.924 -2.288 2.298 1.00 0.00 C HETATM 37 O14 UNL 1 -5.792 -2.649 3.138 1.00 0.00 O HETATM 38 C24 UNL 1 -3.955 -3.158 1.854 1.00 0.00 C HETATM 39 C25 UNL 1 -3.023 -2.723 0.934 1.00 0.00 C HETATM 40 C26 UNL 1 -1.953 -3.663 0.438 1.00 0.00 C HETATM 41 O15 UNL 1 -3.103 -1.487 0.518 1.00 0.00 O HETATM 42 C27 UNL 1 -3.980 -0.605 0.882 1.00 0.00 C HETATM 43 H1 UNL 1 -4.676 6.545 -0.922 1.00 0.00 H HETATM 44 H2 UNL 1 -6.046 5.442 -1.169 1.00 0.00 H HETATM 45 H3 UNL 1 -5.233 5.499 0.478 1.00 0.00 H HETATM 46 H4 UNL 1 -2.417 2.764 -1.684 1.00 0.00 H HETATM 47 H5 UNL 1 -1.070 1.469 -2.195 1.00 0.00 H HETATM 48 H6 UNL 1 0.970 0.854 -3.102 1.00 0.00 H HETATM 49 H7 UNL 1 3.324 0.396 -2.470 1.00 0.00 H HETATM 50 H8 UNL 1 2.577 1.478 -1.288 1.00 0.00 H HETATM 51 H9 UNL 1 4.536 0.788 -0.734 1.00 0.00 H HETATM 52 H10 UNL 1 5.758 1.401 0.723 1.00 0.00 H HETATM 53 H11 UNL 1 4.746 2.411 2.712 1.00 0.00 H HETATM 54 H12 UNL 1 6.369 1.813 3.110 1.00 0.00 H HETATM 55 H13 UNL 1 4.917 1.205 4.690 1.00 0.00 H HETATM 56 H14 UNL 1 7.242 -0.150 1.983 1.00 0.00 H HETATM 57 H15 UNL 1 6.175 -1.250 3.518 1.00 0.00 H HETATM 58 H16 UNL 1 6.629 -2.251 0.596 1.00 0.00 H HETATM 59 H17 UNL 1 7.128 -0.461 -1.316 1.00 0.00 H HETATM 60 H18 UNL 1 4.476 -2.183 -0.148 1.00 0.00 H HETATM 61 H19 UNL 1 5.174 -2.144 -2.148 1.00 0.00 H HETATM 62 H20 UNL 1 1.833 -1.429 -3.648 1.00 0.00 H HETATM 63 H21 UNL 1 2.320 -2.627 -1.928 1.00 0.00 H HETATM 64 H22 UNL 1 -0.332 -1.998 -4.245 1.00 0.00 H HETATM 65 H23 UNL 1 -0.085 -3.335 -2.334 1.00 0.00 H HETATM 66 H24 UNL 1 -2.273 -0.849 -3.057 1.00 0.00 H HETATM 67 H25 UNL 1 -1.496 1.304 -3.942 1.00 0.00 H HETATM 68 H26 UNL 1 -5.827 3.569 0.754 1.00 0.00 H HETATM 69 H27 UNL 1 -6.719 1.899 2.120 1.00 0.00 H HETATM 70 H28 UNL 1 -7.552 0.098 3.490 1.00 0.00 H HETATM 71 H29 UNL 1 -3.902 -4.177 2.208 1.00 0.00 H HETATM 72 H30 UNL 1 -1.053 -3.057 0.312 1.00 0.00 H HETATM 73 H31 UNL 1 -2.296 -3.986 -0.566 1.00 0.00 H HETATM 74 H32 UNL 1 -1.832 -4.505 1.147 1.00 0.00 H CONECT 1 2 43 44 45 CONECT 2 3 CONECT 3 4 4 31 CONECT 4 5 46 CONECT 5 6 29 29 CONECT 6 7 CONECT 7 8 27 47 CONECT 8 9 CONECT 9 10 23 48 CONECT 10 11 49 50 CONECT 11 12 CONECT 12 13 21 51 CONECT 13 14 CONECT 14 15 17 52 CONECT 15 16 53 54 CONECT 16 55 CONECT 17 18 19 56 CONECT 18 57 CONECT 19 20 21 58 CONECT 20 59 CONECT 21 22 60 CONECT 22 61 CONECT 23 24 25 62 CONECT 24 63 CONECT 25 26 27 64 CONECT 26 65 CONECT 27 28 66 CONECT 28 67 CONECT 29 30 42 CONECT 30 31 31 32 CONECT 31 68 CONECT 32 33 33 69 CONECT 33 34 35 CONECT 34 70 CONECT 35 36 42 42 CONECT 36 37 37 38 CONECT 38 39 39 71 CONECT 39 40 41 CONECT 40 72 73 74 CONECT 41 42 END