COMPND HMDB0011495 HETATM 1 C1 UNL 1 10.812 1.617 1.451 1.00 0.00 C HETATM 2 C2 UNL 1 10.719 0.740 0.189 1.00 0.00 C HETATM 3 C3 UNL 1 9.386 0.956 -0.370 1.00 0.00 C HETATM 4 C4 UNL 1 8.465 0.075 -0.550 1.00 0.00 C HETATM 5 C5 UNL 1 8.641 -1.356 -0.197 1.00 0.00 C HETATM 6 C6 UNL 1 7.622 -1.758 0.817 1.00 0.00 C HETATM 7 C7 UNL 1 6.748 -2.706 0.530 1.00 0.00 C HETATM 8 C8 UNL 1 6.616 -3.462 -0.678 1.00 0.00 C HETATM 9 C9 UNL 1 5.520 -3.396 -1.610 1.00 0.00 C HETATM 10 C10 UNL 1 4.442 -2.680 -1.693 1.00 0.00 C HETATM 11 C11 UNL 1 4.118 -1.652 -0.673 1.00 0.00 C HETATM 12 C12 UNL 1 2.778 -1.855 -0.087 1.00 0.00 C HETATM 13 C13 UNL 1 1.875 -0.910 -0.174 1.00 0.00 C HETATM 14 C14 UNL 1 2.209 0.347 -0.856 1.00 0.00 C HETATM 15 C15 UNL 1 2.124 1.513 0.039 1.00 0.00 C HETATM 16 C16 UNL 1 1.421 2.570 -0.062 1.00 0.00 C HETATM 17 C17 UNL 1 0.495 2.952 -1.068 1.00 0.00 C HETATM 18 C18 UNL 1 -0.049 2.259 -2.193 1.00 0.00 C HETATM 19 C19 UNL 1 -0.943 1.100 -2.174 1.00 0.00 C HETATM 20 C20 UNL 1 -2.278 1.186 -1.551 1.00 0.00 C HETATM 21 C21 UNL 1 -2.428 1.354 -0.093 1.00 0.00 C HETATM 22 C22 UNL 1 -3.890 1.464 0.271 1.00 0.00 C HETATM 23 O1 UNL 1 -4.665 2.157 -0.416 1.00 0.00 O HETATM 24 O2 UNL 1 -4.371 0.787 1.367 1.00 0.00 O HETATM 25 C23 UNL 1 -5.764 0.882 1.721 1.00 0.00 C HETATM 26 C24 UNL 1 -5.891 1.318 3.140 1.00 0.00 C HETATM 27 O3 UNL 1 -5.317 2.552 3.389 1.00 0.00 O HETATM 28 C25 UNL 1 -6.406 -0.484 1.512 1.00 0.00 C HETATM 29 O4 UNL 1 -7.725 -0.356 1.841 1.00 0.00 O HETATM 30 P1 UNL 1 -8.662 -1.726 1.641 1.00 0.00 P HETATM 31 O5 UNL 1 -8.620 -2.604 2.859 1.00 0.00 O HETATM 32 O6 UNL 1 -7.973 -2.622 0.360 1.00 0.00 O HETATM 33 O7 UNL 1 -10.242 -1.355 1.174 1.00 0.00 O HETATM 34 C26 UNL 1 -10.266 -0.301 0.262 1.00 0.00 C HETATM 35 C27 UNL 1 -11.635 0.082 -0.180 1.00 0.00 C HETATM 36 N1 UNL 1 -12.285 -1.023 -0.813 1.00 0.00 N HETATM 37 H1 UNL 1 10.125 1.264 2.224 1.00 0.00 H HETATM 38 H2 UNL 1 11.853 1.502 1.823 1.00 0.00 H HETATM 39 H3 UNL 1 10.550 2.642 1.149 1.00 0.00 H HETATM 40 H4 UNL 1 10.959 -0.278 0.380 1.00 0.00 H HETATM 41 H5 UNL 1 11.511 1.174 -0.498 1.00 0.00 H HETATM 42 H6 UNL 1 9.178 2.016 -0.662 1.00 0.00 H HETATM 43 H7 UNL 1 7.488 0.371 -0.984 1.00 0.00 H HETATM 44 H8 UNL 1 9.615 -1.528 0.297 1.00 0.00 H HETATM 45 H9 UNL 1 8.528 -1.958 -1.106 1.00 0.00 H HETATM 46 H10 UNL 1 7.615 -1.256 1.795 1.00 0.00 H HETATM 47 H11 UNL 1 6.086 -2.952 1.412 1.00 0.00 H HETATM 48 H12 UNL 1 7.594 -3.485 -1.265 1.00 0.00 H HETATM 49 H13 UNL 1 6.662 -4.605 -0.311 1.00 0.00 H HETATM 50 H14 UNL 1 5.614 -4.149 -2.484 1.00 0.00 H HETATM 51 H15 UNL 1 3.733 -2.832 -2.549 1.00 0.00 H HETATM 52 H16 UNL 1 4.799 -1.808 0.212 1.00 0.00 H HETATM 53 H17 UNL 1 4.396 -0.662 -1.016 1.00 0.00 H HETATM 54 H18 UNL 1 2.551 -2.783 0.410 1.00 0.00 H HETATM 55 H19 UNL 1 0.883 -1.042 0.249 1.00 0.00 H HETATM 56 H20 UNL 1 3.295 0.357 -1.190 1.00 0.00 H HETATM 57 H21 UNL 1 1.682 0.389 -1.797 1.00 0.00 H HETATM 58 H22 UNL 1 2.797 1.417 0.938 1.00 0.00 H HETATM 59 H23 UNL 1 1.591 3.313 0.816 1.00 0.00 H HETATM 60 H24 UNL 1 -0.390 3.446 -0.507 1.00 0.00 H HETATM 61 H25 UNL 1 0.906 4.028 -1.503 1.00 0.00 H HETATM 62 H26 UNL 1 0.799 2.104 -2.970 1.00 0.00 H HETATM 63 H27 UNL 1 -0.660 3.039 -2.866 1.00 0.00 H HETATM 64 H28 UNL 1 -0.491 0.132 -1.809 1.00 0.00 H HETATM 65 H29 UNL 1 -1.161 0.860 -3.287 1.00 0.00 H HETATM 66 H30 UNL 1 -2.947 1.945 -2.067 1.00 0.00 H HETATM 67 H31 UNL 1 -2.808 0.208 -1.843 1.00 0.00 H HETATM 68 H32 UNL 1 -2.050 0.416 0.434 1.00 0.00 H HETATM 69 H33 UNL 1 -1.903 2.166 0.367 1.00 0.00 H HETATM 70 H34 UNL 1 -6.235 1.624 1.035 1.00 0.00 H HETATM 71 H35 UNL 1 -6.981 1.415 3.418 1.00 0.00 H HETATM 72 H36 UNL 1 -5.511 0.533 3.840 1.00 0.00 H HETATM 73 H37 UNL 1 -5.593 3.147 2.623 1.00 0.00 H HETATM 74 H38 UNL 1 -6.221 -0.869 0.501 1.00 0.00 H HETATM 75 H39 UNL 1 -5.918 -1.186 2.215 1.00 0.00 H HETATM 76 H40 UNL 1 -8.471 -3.476 0.328 1.00 0.00 H HETATM 77 H41 UNL 1 -9.701 0.584 0.607 1.00 0.00 H HETATM 78 H42 UNL 1 -9.720 -0.662 -0.652 1.00 0.00 H HETATM 79 H43 UNL 1 -11.517 0.879 -0.953 1.00 0.00 H HETATM 80 H44 UNL 1 -12.247 0.548 0.619 1.00 0.00 H HETATM 81 H45 UNL 1 -13.191 -0.843 -1.247 1.00 0.00 H HETATM 82 H46 UNL 1 -11.671 -1.709 -1.254 1.00 0.00 H CONECT 1 2 37 38 39 CONECT 2 3 40 41 CONECT 3 4 4 42 CONECT 4 5 43 CONECT 5 6 44 45 CONECT 6 7 7 46 CONECT 7 8 47 CONECT 8 9 48 49 CONECT 9 10 10 50 CONECT 10 11 51 CONECT 11 12 52 53 CONECT 12 13 13 54 CONECT 13 14 55 CONECT 14 15 56 57 CONECT 15 16 16 58 CONECT 16 17 59 CONECT 17 18 60 61 CONECT 18 19 62 63 CONECT 19 20 64 65 CONECT 20 21 66 67 CONECT 21 22 68 69 CONECT 22 23 23 24 CONECT 24 25 CONECT 25 26 28 70 CONECT 26 27 71 72 CONECT 27 73 CONECT 28 29 74 75 CONECT 29 30 CONECT 30 31 31 32 33 CONECT 32 76 CONECT 33 34 CONECT 34 35 77 78 CONECT 35 36 79 80 CONECT 36 81 82 END