COMPND HMDB0036320 HETATM 1 C1 UNL 1 -1.342 -4.127 -4.650 1.00 0.00 C HETATM 2 C2 UNL 1 -1.801 -3.717 -3.294 1.00 0.00 C HETATM 3 C3 UNL 1 -2.771 -4.428 -2.620 1.00 0.00 C HETATM 4 C4 UNL 1 -3.185 -4.035 -1.353 1.00 0.00 C HETATM 5 O1 UNL 1 -4.159 -4.741 -0.666 1.00 0.00 O HETATM 6 C5 UNL 1 -2.643 -2.921 -0.724 1.00 0.00 C HETATM 7 C6 UNL 1 -1.670 -2.213 -1.407 1.00 0.00 C HETATM 8 C7 UNL 1 -1.261 -2.604 -2.664 1.00 0.00 C HETATM 9 C8 UNL 1 -1.099 -1.056 -0.738 1.00 0.00 C HETATM 10 O2 UNL 1 -0.211 -0.387 -1.329 1.00 0.00 O HETATM 11 C9 UNL 1 -1.520 -0.631 0.617 1.00 0.00 C HETATM 12 C10 UNL 1 -2.495 -1.350 1.290 1.00 0.00 C HETATM 13 C11 UNL 1 -2.909 -0.999 2.558 1.00 0.00 C HETATM 14 O3 UNL 1 -3.881 -1.730 3.210 1.00 0.00 O HETATM 15 C12 UNL 1 -2.340 0.091 3.169 1.00 0.00 C HETATM 16 C13 UNL 1 -1.364 0.830 2.522 1.00 0.00 C HETATM 17 O4 UNL 1 -0.786 1.956 3.169 1.00 0.00 O HETATM 18 C14 UNL 1 -0.980 0.452 1.265 1.00 0.00 C HETATM 19 C15 UNL 1 0.029 1.196 0.514 1.00 0.00 C HETATM 20 C16 UNL 1 1.363 0.838 0.558 1.00 0.00 C HETATM 21 O5 UNL 1 1.749 -0.279 1.336 1.00 0.00 O HETATM 22 C17 UNL 1 3.054 -0.714 1.488 1.00 0.00 C HETATM 23 O6 UNL 1 3.216 -1.059 2.839 1.00 0.00 O HETATM 24 C18 UNL 1 4.099 -2.077 3.063 1.00 0.00 C HETATM 25 C19 UNL 1 4.630 -1.942 4.484 1.00 0.00 C HETATM 26 O7 UNL 1 5.519 -2.980 4.674 1.00 0.00 O HETATM 27 C20 UNL 1 5.281 -2.121 2.127 1.00 0.00 C HETATM 28 O8 UNL 1 5.952 -3.319 2.374 1.00 0.00 O HETATM 29 C21 UNL 1 4.835 -2.140 0.679 1.00 0.00 C HETATM 30 O9 UNL 1 5.195 -3.333 0.064 1.00 0.00 O HETATM 31 C22 UNL 1 3.315 -1.963 0.633 1.00 0.00 C HETATM 32 O10 UNL 1 2.884 -1.639 -0.653 1.00 0.00 O HETATM 33 C23 UNL 1 2.260 1.596 -0.167 1.00 0.00 C HETATM 34 C24 UNL 1 1.835 2.673 -0.910 1.00 0.00 C HETATM 35 O11 UNL 1 2.705 3.458 -1.653 1.00 0.00 O HETATM 36 C25 UNL 1 0.492 3.003 -0.932 1.00 0.00 C HETATM 37 C26 UNL 1 -0.425 2.261 -0.215 1.00 0.00 C HETATM 38 C27 UNL 1 -1.859 2.647 -0.262 1.00 0.00 C HETATM 39 O12 UNL 1 -2.673 1.926 0.420 1.00 0.00 O HETATM 40 C28 UNL 1 -2.335 3.777 -1.034 1.00 0.00 C HETATM 41 C29 UNL 1 -3.671 4.056 -1.014 1.00 0.00 C HETATM 42 C30 UNL 1 -4.124 5.144 -1.758 1.00 0.00 C HETATM 43 C31 UNL 1 -5.568 5.490 -1.765 1.00 0.00 C HETATM 44 C32 UNL 1 -3.220 5.900 -2.485 1.00 0.00 C HETATM 45 C33 UNL 1 -1.877 5.582 -2.475 1.00 0.00 C HETATM 46 O13 UNL 1 -0.985 6.355 -3.212 1.00 0.00 O HETATM 47 C34 UNL 1 -1.396 4.513 -1.751 1.00 0.00 C HETATM 48 C35 UNL 1 0.007 4.142 -1.710 1.00 0.00 C HETATM 49 O14 UNL 1 0.847 4.817 -2.362 1.00 0.00 O HETATM 50 C36 UNL 1 -3.078 -2.525 0.612 1.00 0.00 C HETATM 51 O15 UNL 1 -3.971 -3.180 1.232 1.00 0.00 O HETATM 52 H1 UNL 1 -2.161 -4.470 -5.294 1.00 0.00 H HETATM 53 H2 UNL 1 -0.565 -4.939 -4.577 1.00 0.00 H HETATM 54 H3 UNL 1 -0.861 -3.262 -5.150 1.00 0.00 H HETATM 55 H4 UNL 1 -3.216 -5.309 -3.095 1.00 0.00 H HETATM 56 H5 UNL 1 -4.560 -5.544 -1.101 1.00 0.00 H HETATM 57 H6 UNL 1 -0.499 -2.064 -3.213 1.00 0.00 H HETATM 58 H7 UNL 1 -4.215 -1.512 4.140 1.00 0.00 H HETATM 59 H8 UNL 1 -2.621 0.420 4.168 1.00 0.00 H HETATM 60 H9 UNL 1 -1.100 2.197 4.083 1.00 0.00 H HETATM 61 H10 UNL 1 3.833 0.002 1.173 1.00 0.00 H HETATM 62 H11 UNL 1 3.563 -3.056 3.015 1.00 0.00 H HETATM 63 H12 UNL 1 5.153 -0.981 4.642 1.00 0.00 H HETATM 64 H13 UNL 1 3.769 -2.080 5.186 1.00 0.00 H HETATM 65 H14 UNL 1 5.286 -3.474 5.474 1.00 0.00 H HETATM 66 H15 UNL 1 5.914 -1.242 2.276 1.00 0.00 H HETATM 67 H16 UNL 1 6.794 -3.358 1.858 1.00 0.00 H HETATM 68 H17 UNL 1 5.251 -1.278 0.102 1.00 0.00 H HETATM 69 H18 UNL 1 6.089 -3.191 -0.342 1.00 0.00 H HETATM 70 H19 UNL 1 2.863 -2.862 1.040 1.00 0.00 H HETATM 71 H20 UNL 1 3.603 -1.094 -1.061 1.00 0.00 H HETATM 72 H21 UNL 1 3.316 1.321 -0.140 1.00 0.00 H HETATM 73 H22 UNL 1 3.703 3.289 -1.694 1.00 0.00 H HETATM 74 H23 UNL 1 -4.338 3.442 -0.436 1.00 0.00 H HETATM 75 H24 UNL 1 -5.752 6.564 -1.964 1.00 0.00 H HETATM 76 H25 UNL 1 -6.090 4.923 -2.553 1.00 0.00 H HETATM 77 H26 UNL 1 -6.005 5.163 -0.800 1.00 0.00 H HETATM 78 H27 UNL 1 -3.533 6.756 -3.075 1.00 0.00 H HETATM 79 H28 UNL 1 -1.289 7.145 -3.759 1.00 0.00 H CONECT 1 2 52 53 54 CONECT 2 3 3 8 CONECT 3 4 55 CONECT 4 5 6 6 CONECT 5 56 CONECT 6 7 50 CONECT 7 8 8 9 CONECT 8 57 CONECT 9 10 10 11 CONECT 11 12 12 18 CONECT 12 13 50 CONECT 13 14 15 15 CONECT 14 58 CONECT 15 16 59 CONECT 16 17 18 18 CONECT 17 60 CONECT 18 19 CONECT 19 20 37 37 CONECT 20 21 33 33 CONECT 21 22 CONECT 22 23 31 61 CONECT 23 24 CONECT 24 25 27 62 CONECT 25 26 63 64 CONECT 26 65 CONECT 27 28 29 66 CONECT 28 67 CONECT 29 30 31 68 CONECT 30 69 CONECT 31 32 70 CONECT 32 71 CONECT 33 34 72 CONECT 34 35 36 36 CONECT 35 73 CONECT 36 37 48 CONECT 37 38 CONECT 38 39 39 40 CONECT 40 41 41 47 CONECT 41 42 74 CONECT 42 43 44 44 CONECT 43 75 76 77 CONECT 44 45 78 CONECT 45 46 47 47 CONECT 46 79 CONECT 47 48 CONECT 48 49 49 CONECT 50 51 51 END