COMPND HMDB0252437 HETATM 1 C1 UNL 1 -1.621 2.382 1.240 1.00 0.00 C HETATM 2 O1 UNL 1 -2.869 1.744 1.304 1.00 0.00 O HETATM 3 C2 UNL 1 -2.991 0.367 1.318 1.00 0.00 C HETATM 4 C3 UNL 1 -1.882 -0.461 1.265 1.00 0.00 C HETATM 5 C4 UNL 1 -2.010 -1.845 1.278 1.00 0.00 C HETATM 6 C5 UNL 1 -0.839 -2.662 1.225 1.00 0.00 C HETATM 7 O2 UNL 1 0.300 -2.009 1.167 1.00 0.00 O HETATM 8 C6 UNL 1 1.608 -2.149 1.116 1.00 0.00 C HETATM 9 C7 UNL 1 2.355 -3.310 1.106 1.00 0.00 C HETATM 10 C8 UNL 1 3.733 -3.291 1.049 1.00 0.00 C HETATM 11 C9 UNL 1 4.454 -2.123 0.999 1.00 0.00 C HETATM 12 N1 UNL 1 5.865 -2.079 0.955 1.00 0.00 N HETATM 13 C10 UNL 1 6.521 -1.810 -0.128 1.00 0.00 C HETATM 14 O3 UNL 1 5.790 -1.564 -1.263 1.00 0.00 O HETATM 15 C11 UNL 1 7.993 -1.767 -0.149 1.00 0.00 C HETATM 16 C12 UNL 1 8.583 -0.417 -0.480 1.00 0.00 C HETATM 17 O4 UNL 1 9.857 -0.395 -0.478 1.00 0.00 O HETATM 18 N2 UNL 1 7.762 0.684 -0.760 1.00 0.00 N HETATM 19 C13 UNL 1 8.180 1.994 -1.079 1.00 0.00 C HETATM 20 C14 UNL 1 9.477 2.398 -1.000 1.00 0.00 C HETATM 21 C15 UNL 1 9.835 3.714 -1.341 1.00 0.00 C HETATM 22 C16 UNL 1 8.911 4.635 -1.761 1.00 0.00 C HETATM 23 F1 UNL 1 9.267 5.879 -2.077 1.00 0.00 F HETATM 24 C17 UNL 1 7.603 4.232 -1.842 1.00 0.00 C HETATM 25 C18 UNL 1 7.247 2.948 -1.510 1.00 0.00 C HETATM 26 C19 UNL 1 8.765 -2.937 -0.638 1.00 0.00 C HETATM 27 C20 UNL 1 8.745 -2.577 0.858 1.00 0.00 C HETATM 28 C21 UNL 1 3.720 -0.958 1.008 1.00 0.00 C HETATM 29 C22 UNL 1 2.366 -0.959 1.063 1.00 0.00 C HETATM 30 F2 UNL 1 1.718 0.208 1.065 1.00 0.00 F HETATM 31 C23 UNL 1 -1.022 -4.046 1.242 1.00 0.00 C HETATM 32 C24 UNL 1 -2.314 -4.541 1.310 1.00 0.00 C HETATM 33 N3 UNL 1 -3.407 -3.772 1.360 1.00 0.00 N HETATM 34 C25 UNL 1 -3.237 -2.426 1.343 1.00 0.00 C HETATM 35 C26 UNL 1 -4.361 -1.594 1.397 1.00 0.00 C HETATM 36 C27 UNL 1 -4.236 -0.217 1.384 1.00 0.00 C HETATM 37 O5 UNL 1 -5.342 0.612 1.438 1.00 0.00 O HETATM 38 C28 UNL 1 -6.618 0.011 1.510 1.00 0.00 C HETATM 39 C29 UNL 1 -7.738 1.009 1.569 1.00 0.00 C HETATM 40 C30 UNL 1 -7.826 1.923 0.393 1.00 0.00 C HETATM 41 N4 UNL 1 -8.019 1.209 -0.858 1.00 0.00 N HETATM 42 C31 UNL 1 -9.319 0.577 -0.911 1.00 0.00 C HETATM 43 C32 UNL 1 -10.035 0.742 -2.213 1.00 0.00 C HETATM 44 O6 UNL 1 -10.161 2.066 -2.611 1.00 0.00 O HETATM 45 C33 UNL 1 -9.187 2.887 -2.069 1.00 0.00 C HETATM 46 C34 UNL 1 -7.858 2.185 -1.921 1.00 0.00 C HETATM 47 H1 UNL 1 -0.869 1.902 1.897 1.00 0.00 H HETATM 48 H2 UNL 1 -1.750 3.445 1.582 1.00 0.00 H HETATM 49 H3 UNL 1 -1.239 2.367 0.197 1.00 0.00 H HETATM 50 H4 UNL 1 -0.901 -0.034 1.212 1.00 0.00 H HETATM 51 H5 UNL 1 1.865 -4.254 1.144 1.00 0.00 H HETATM 52 H6 UNL 1 4.264 -4.233 1.044 1.00 0.00 H HETATM 53 H7 UNL 1 6.077 -1.671 -2.208 1.00 0.00 H HETATM 54 H8 UNL 1 6.707 0.482 -0.717 1.00 0.00 H HETATM 55 H9 UNL 1 10.275 1.758 -0.678 1.00 0.00 H HETATM 56 H10 UNL 1 10.887 4.008 -1.266 1.00 0.00 H HETATM 57 H11 UNL 1 6.879 4.971 -2.179 1.00 0.00 H HETATM 58 H12 UNL 1 6.221 2.649 -1.581 1.00 0.00 H HETATM 59 H13 UNL 1 9.751 -2.801 -1.137 1.00 0.00 H HETATM 60 H14 UNL 1 8.210 -3.842 -0.952 1.00 0.00 H HETATM 61 H15 UNL 1 9.695 -2.162 1.263 1.00 0.00 H HETATM 62 H16 UNL 1 8.148 -3.277 1.486 1.00 0.00 H HETATM 63 H17 UNL 1 4.270 -0.003 0.969 1.00 0.00 H HETATM 64 H18 UNL 1 -0.186 -4.706 1.204 1.00 0.00 H HETATM 65 H19 UNL 1 -2.409 -5.629 1.321 1.00 0.00 H HETATM 66 H20 UNL 1 -5.335 -2.033 1.449 1.00 0.00 H HETATM 67 H21 UNL 1 -6.695 -0.696 2.355 1.00 0.00 H HETATM 68 H22 UNL 1 -6.726 -0.627 0.595 1.00 0.00 H HETATM 69 H23 UNL 1 -7.519 1.669 2.463 1.00 0.00 H HETATM 70 H24 UNL 1 -8.705 0.532 1.828 1.00 0.00 H HETATM 71 H25 UNL 1 -6.884 2.500 0.307 1.00 0.00 H HETATM 72 H26 UNL 1 -8.634 2.652 0.599 1.00 0.00 H HETATM 73 H27 UNL 1 -9.981 0.858 -0.074 1.00 0.00 H HETATM 74 H28 UNL 1 -9.127 -0.528 -0.791 1.00 0.00 H HETATM 75 H29 UNL 1 -11.078 0.371 -2.050 1.00 0.00 H HETATM 76 H30 UNL 1 -9.628 0.106 -3.027 1.00 0.00 H HETATM 77 H31 UNL 1 -9.060 3.760 -2.739 1.00 0.00 H HETATM 78 H32 UNL 1 -9.574 3.266 -1.106 1.00 0.00 H HETATM 79 H33 UNL 1 -7.589 1.752 -2.886 1.00 0.00 H HETATM 80 H34 UNL 1 -7.123 2.945 -1.581 1.00 0.00 H CONECT 1 2 47 48 49 CONECT 2 3 CONECT 3 4 4 36 CONECT 4 5 50 CONECT 5 6 6 34 CONECT 6 7 31 CONECT 7 8 CONECT 8 9 9 29 CONECT 9 10 51 CONECT 10 11 11 52 CONECT 11 12 28 CONECT 12 13 13 CONECT 13 14 15 CONECT 14 53 CONECT 15 16 26 27 CONECT 16 17 17 18 CONECT 18 19 54 CONECT 19 20 20 25 CONECT 20 21 55 CONECT 21 22 22 56 CONECT 22 23 24 CONECT 24 25 25 57 CONECT 25 58 CONECT 26 27 59 60 CONECT 27 61 62 CONECT 28 29 29 63 CONECT 29 30 CONECT 31 32 32 64 CONECT 32 33 65 CONECT 33 34 34 CONECT 34 35 CONECT 35 36 36 66 CONECT 36 37 CONECT 37 38 CONECT 38 39 67 68 CONECT 39 40 69 70 CONECT 40 41 71 72 CONECT 41 42 46 CONECT 42 43 73 74 CONECT 43 44 75 76 CONECT 44 45 CONECT 45 46 77 78 CONECT 46 79 80 END