COMPND HMDB0001379 HETATM 1 N1 UNL 1 10.914 2.201 -0.764 1.00 0.00 N HETATM 2 C1 UNL 1 10.592 0.824 -0.652 1.00 0.00 C HETATM 3 N2 UNL 1 11.476 -0.170 -0.724 1.00 0.00 N HETATM 4 C2 UNL 1 11.122 -1.470 -0.604 1.00 0.00 C HETATM 5 O1 UNL 1 11.968 -2.388 -0.679 1.00 0.00 O HETATM 6 C3 UNL 1 9.791 -1.763 -0.396 1.00 0.00 C HETATM 7 N3 UNL 1 9.084 -2.918 -0.214 1.00 0.00 N HETATM 8 C4 UNL 1 7.786 -2.596 -0.029 1.00 0.00 C HETATM 9 N4 UNL 1 7.622 -1.259 -0.084 1.00 0.00 N HETATM 10 C5 UNL 1 6.463 -0.498 0.160 1.00 0.00 C HETATM 11 O2 UNL 1 5.806 0.128 -0.886 1.00 0.00 O HETATM 12 C6 UNL 1 4.985 0.949 -0.152 1.00 0.00 C HETATM 13 C7 UNL 1 3.746 1.519 -0.650 1.00 0.00 C HETATM 14 O3 UNL 1 2.884 0.399 -0.962 1.00 0.00 O HETATM 15 P1 UNL 1 1.754 0.296 0.304 1.00 0.00 P HETATM 16 O4 UNL 1 2.153 1.218 1.441 1.00 0.00 O HETATM 17 O5 UNL 1 1.912 -1.349 0.840 1.00 0.00 O HETATM 18 O6 UNL 1 0.200 0.563 -0.098 1.00 0.00 O HETATM 19 P2 UNL 1 -0.454 1.983 0.539 1.00 0.00 P HETATM 20 O7 UNL 1 -0.370 2.034 2.038 1.00 0.00 O HETATM 21 O8 UNL 1 0.274 3.350 -0.150 1.00 0.00 O HETATM 22 O9 UNL 1 -2.092 1.983 0.127 1.00 0.00 O HETATM 23 P3 UNL 1 -2.554 0.501 -0.536 1.00 0.00 P HETATM 24 O10 UNL 1 -3.222 0.856 -1.875 1.00 0.00 O HETATM 25 O11 UNL 1 -1.296 -0.521 -0.914 1.00 0.00 O HETATM 26 O12 UNL 1 -3.694 -0.198 0.496 1.00 0.00 O HETATM 27 C8 UNL 1 -4.061 -1.432 0.035 1.00 0.00 C HETATM 28 C9 UNL 1 -5.175 -2.022 0.877 1.00 0.00 C HETATM 29 O13 UNL 1 -6.235 -1.176 1.029 1.00 0.00 O HETATM 30 C10 UNL 1 -7.221 -1.429 0.087 1.00 0.00 C HETATM 31 N5 UNL 1 -7.323 -0.269 -0.765 1.00 0.00 N HETATM 32 C11 UNL 1 -6.451 0.077 -1.721 1.00 0.00 C HETATM 33 N6 UNL 1 -6.850 1.268 -2.262 1.00 0.00 N HETATM 34 C12 UNL 1 -7.955 1.631 -1.632 1.00 0.00 C HETATM 35 C13 UNL 1 -8.759 2.741 -1.814 1.00 0.00 C HETATM 36 O14 UNL 1 -8.452 3.602 -2.679 1.00 0.00 O HETATM 37 N7 UNL 1 -9.845 2.820 -1.027 1.00 0.00 N HETATM 38 C14 UNL 1 -10.167 1.888 -0.102 1.00 0.00 C HETATM 39 N8 UNL 1 -11.356 2.034 0.683 1.00 0.00 N HETATM 40 N9 UNL 1 -9.371 0.831 0.052 1.00 0.00 N HETATM 41 C15 UNL 1 -8.270 0.695 -0.702 1.00 0.00 C HETATM 42 C16 UNL 1 -6.937 -2.735 -0.533 1.00 0.00 C HETATM 43 O15 UNL 1 -8.022 -3.604 -0.326 1.00 0.00 O HETATM 44 C17 UNL 1 -5.715 -3.273 0.191 1.00 0.00 C HETATM 45 O16 UNL 1 -6.005 -4.247 1.103 1.00 0.00 O HETATM 46 C18 UNL 1 5.977 1.768 0.606 1.00 0.00 C HETATM 47 O17 UNL 1 5.454 2.567 1.586 1.00 0.00 O HETATM 48 C19 UNL 1 6.720 0.563 1.244 1.00 0.00 C HETATM 49 O18 UNL 1 5.995 0.244 2.412 1.00 0.00 O HETATM 50 C20 UNL 1 8.874 -0.749 -0.321 1.00 0.00 C HETATM 51 N10 UNL 1 9.278 0.504 -0.449 1.00 0.00 N HETATM 52 H1 UNL 1 11.854 2.547 -0.528 1.00 0.00 H HETATM 53 H2 UNL 1 10.196 2.880 -1.092 1.00 0.00 H HETATM 54 H3 UNL 1 6.967 -3.306 0.153 1.00 0.00 H HETATM 55 H4 UNL 1 5.681 -1.184 0.621 1.00 0.00 H HETATM 56 H5 UNL 1 4.633 0.191 0.725 1.00 0.00 H HETATM 57 H6 UNL 1 3.954 1.957 -1.690 1.00 0.00 H HETATM 58 H7 UNL 1 3.292 2.277 -0.068 1.00 0.00 H HETATM 59 H8 UNL 1 1.888 -1.371 1.805 1.00 0.00 H HETATM 60 H9 UNL 1 0.062 3.304 -1.123 1.00 0.00 H HETATM 61 H10 UNL 1 -1.243 -1.302 -0.320 1.00 0.00 H HETATM 62 H11 UNL 1 -3.164 -2.141 0.312 1.00 0.00 H HETATM 63 H12 UNL 1 -4.152 -1.598 -1.022 1.00 0.00 H HETATM 64 H13 UNL 1 -4.770 -2.313 1.843 1.00 0.00 H HETATM 65 H14 UNL 1 -8.194 -1.506 0.667 1.00 0.00 H HETATM 66 H15 UNL 1 -5.590 -0.407 -2.103 1.00 0.00 H HETATM 67 H16 UNL 1 -11.918 1.161 0.905 1.00 0.00 H HETATM 68 H17 UNL 1 -11.721 2.920 1.039 1.00 0.00 H HETATM 69 H18 UNL 1 -9.612 0.120 0.752 1.00 0.00 H HETATM 70 H19 UNL 1 -6.780 -2.659 -1.612 1.00 0.00 H HETATM 71 H20 UNL 1 -7.876 -4.475 -0.742 1.00 0.00 H HETATM 72 H21 UNL 1 -4.964 -3.567 -0.572 1.00 0.00 H HETATM 73 H22 UNL 1 -6.496 -3.824 1.847 1.00 0.00 H HETATM 74 H23 UNL 1 6.591 2.300 -0.121 1.00 0.00 H HETATM 75 H24 UNL 1 4.474 2.653 1.526 1.00 0.00 H HETATM 76 H25 UNL 1 7.735 0.736 1.501 1.00 0.00 H HETATM 77 H26 UNL 1 5.598 -0.646 2.271 1.00 0.00 H HETATM 78 H27 UNL 1 8.578 1.285 -0.423 1.00 0.00 H CONECT 1 2 52 53 CONECT 2 3 3 51 CONECT 3 4 CONECT 4 5 5 6 CONECT 6 7 50 50 CONECT 7 8 8 CONECT 8 9 54 CONECT 9 10 50 CONECT 10 11 48 55 CONECT 11 12 CONECT 12 13 46 56 CONECT 13 14 57 58 CONECT 14 15 CONECT 15 16 16 17 18 CONECT 17 59 CONECT 18 19 CONECT 19 20 20 21 22 CONECT 21 60 CONECT 22 23 CONECT 23 24 24 25 26 CONECT 25 61 CONECT 26 27 CONECT 27 28 62 63 CONECT 28 29 44 64 CONECT 29 30 CONECT 30 31 42 65 CONECT 31 32 41 CONECT 32 33 33 66 CONECT 33 34 CONECT 34 35 41 41 CONECT 35 36 36 37 CONECT 37 38 38 CONECT 38 39 40 CONECT 39 67 68 CONECT 40 41 69 CONECT 42 43 44 70 CONECT 43 71 CONECT 44 45 72 CONECT 45 73 CONECT 46 47 48 74 CONECT 47 75 CONECT 48 49 76 CONECT 49 77 CONECT 50 51 CONECT 51 78 END