COMPND HMDB0255845 HETATM 1 C1 UNL 1 -2.243 -2.649 -3.969 1.00 0.00 C HETATM 2 C2 UNL 1 -2.151 -1.810 -2.750 1.00 0.00 C HETATM 3 C3 UNL 1 -1.309 -2.178 -1.694 1.00 0.00 C HETATM 4 C4 UNL 1 -1.310 -1.427 -0.502 1.00 0.00 C HETATM 5 C5 UNL 1 -0.346 -1.899 0.569 1.00 0.00 C HETATM 6 C6 UNL 1 1.066 -1.568 0.219 1.00 0.00 C HETATM 7 C7 UNL 1 1.877 -2.562 -0.368 1.00 0.00 C HETATM 8 C8 UNL 1 3.189 -2.321 -0.701 1.00 0.00 C HETATM 9 C9 UNL 1 4.020 -3.383 -1.319 1.00 0.00 C HETATM 10 C10 UNL 1 3.785 -1.074 -0.471 1.00 0.00 C HETATM 11 O1 UNL 1 5.116 -0.925 -0.841 1.00 0.00 O HETATM 12 C11 UNL 1 3.030 -0.096 0.089 1.00 0.00 C HETATM 13 C12 UNL 1 3.526 1.188 0.536 1.00 0.00 C HETATM 14 N1 UNL 1 4.647 1.816 -0.006 1.00 0.00 N HETATM 15 C13 UNL 1 5.909 1.394 0.448 1.00 0.00 C HETATM 16 C14 UNL 1 7.079 1.457 -0.416 1.00 0.00 C HETATM 17 O2 UNL 1 7.061 1.505 -1.660 1.00 0.00 O HETATM 18 O3 UNL 1 8.377 1.460 0.155 1.00 0.00 O HETATM 19 C15 UNL 1 4.537 2.547 -1.199 1.00 0.00 C HETATM 20 C16 UNL 1 5.561 3.614 -1.297 1.00 0.00 C HETATM 21 O4 UNL 1 5.814 4.190 -2.406 1.00 0.00 O HETATM 22 O5 UNL 1 6.281 4.031 -0.185 1.00 0.00 O HETATM 23 C17 UNL 1 1.673 -0.373 0.419 1.00 0.00 C HETATM 24 O6 UNL 1 -0.395 -3.337 0.454 1.00 0.00 O HETATM 25 C18 UNL 1 -1.013 -3.907 1.489 1.00 0.00 C HETATM 26 O7 UNL 1 -1.374 -5.135 1.668 1.00 0.00 O HETATM 27 C19 UNL 1 -1.247 -2.827 2.473 1.00 0.00 C HETATM 28 C20 UNL 1 -1.735 -2.932 3.748 1.00 0.00 C HETATM 29 C21 UNL 1 -1.756 -1.829 4.613 1.00 0.00 C HETATM 30 C22 UNL 1 -1.261 -0.651 4.095 1.00 0.00 C HETATM 31 C23 UNL 1 -0.777 -0.560 2.815 1.00 0.00 C HETATM 32 C24 UNL 1 -0.747 -1.643 1.939 1.00 0.00 C HETATM 33 C25 UNL 1 -2.133 -0.364 -0.406 1.00 0.00 C HETATM 34 C26 UNL 1 -2.988 0.001 -1.480 1.00 0.00 C HETATM 35 C27 UNL 1 -3.814 1.204 -1.470 1.00 0.00 C HETATM 36 N2 UNL 1 -4.942 1.195 -0.590 1.00 0.00 N HETATM 37 C28 UNL 1 -4.876 0.985 0.752 1.00 0.00 C HETATM 38 C29 UNL 1 -4.402 1.993 1.677 1.00 0.00 C HETATM 39 O8 UNL 1 -4.411 1.687 2.948 1.00 0.00 O HETATM 40 O9 UNL 1 -3.935 3.240 1.373 1.00 0.00 O HETATM 41 C30 UNL 1 -5.837 2.260 -1.007 1.00 0.00 C HETATM 42 C31 UNL 1 -7.119 2.322 -0.380 1.00 0.00 C HETATM 43 O10 UNL 1 -7.690 1.677 0.504 1.00 0.00 O HETATM 44 O11 UNL 1 -7.978 3.387 -0.875 1.00 0.00 O HETATM 45 C32 UNL 1 -2.967 -0.748 -2.640 1.00 0.00 C HETATM 46 O12 UNL 1 -3.798 -0.420 -3.765 1.00 0.00 O HETATM 47 H1 UNL 1 -3.046 -2.322 -4.628 1.00 0.00 H HETATM 48 H2 UNL 1 -1.263 -2.759 -4.477 1.00 0.00 H HETATM 49 H3 UNL 1 -2.510 -3.674 -3.569 1.00 0.00 H HETATM 50 H4 UNL 1 -0.640 -3.035 -1.722 1.00 0.00 H HETATM 51 H5 UNL 1 1.390 -3.520 -0.546 1.00 0.00 H HETATM 52 H6 UNL 1 3.336 -4.175 -1.734 1.00 0.00 H HETATM 53 H7 UNL 1 4.745 -3.798 -0.586 1.00 0.00 H HETATM 54 H8 UNL 1 4.602 -2.969 -2.164 1.00 0.00 H HETATM 55 H9 UNL 1 5.730 -1.553 -1.243 1.00 0.00 H HETATM 56 H10 UNL 1 3.599 1.253 1.661 1.00 0.00 H HETATM 57 H11 UNL 1 2.659 1.938 0.336 1.00 0.00 H HETATM 58 H12 UNL 1 5.875 0.461 1.100 1.00 0.00 H HETATM 59 H13 UNL 1 6.160 2.169 1.298 1.00 0.00 H HETATM 60 H14 UNL 1 8.805 2.346 0.402 1.00 0.00 H HETATM 61 H15 UNL 1 3.535 3.082 -1.214 1.00 0.00 H HETATM 62 H16 UNL 1 4.656 1.929 -2.147 1.00 0.00 H HETATM 63 H17 UNL 1 6.202 4.901 0.271 1.00 0.00 H HETATM 64 H18 UNL 1 1.085 0.431 0.839 1.00 0.00 H HETATM 65 H19 UNL 1 -2.120 -3.870 4.141 1.00 0.00 H HETATM 66 H20 UNL 1 -2.134 -1.907 5.607 1.00 0.00 H HETATM 67 H21 UNL 1 -1.257 0.217 4.748 1.00 0.00 H HETATM 68 H22 UNL 1 -0.411 0.372 2.505 1.00 0.00 H HETATM 69 H23 UNL 1 -2.092 0.224 0.512 1.00 0.00 H HETATM 70 H24 UNL 1 -3.117 2.011 -0.994 1.00 0.00 H HETATM 71 H25 UNL 1 -4.021 1.595 -2.455 1.00 0.00 H HETATM 72 H26 UNL 1 -5.892 0.550 1.108 1.00 0.00 H HETATM 73 H27 UNL 1 -4.226 0.038 1.028 1.00 0.00 H HETATM 74 H28 UNL 1 -4.192 3.982 2.052 1.00 0.00 H HETATM 75 H29 UNL 1 -5.300 3.262 -0.997 1.00 0.00 H HETATM 76 H30 UNL 1 -6.015 2.124 -2.127 1.00 0.00 H HETATM 77 H31 UNL 1 -7.711 3.808 -1.774 1.00 0.00 H HETATM 78 H32 UNL 1 -4.429 0.357 -3.784 1.00 0.00 H CONECT 1 2 47 48 49 CONECT 2 3 3 45 CONECT 3 4 50 CONECT 4 5 33 33 CONECT 5 6 24 32 CONECT 6 7 7 23 CONECT 7 8 51 CONECT 8 9 10 10 CONECT 9 52 53 54 CONECT 10 11 12 CONECT 11 55 CONECT 12 13 23 23 CONECT 13 14 56 57 CONECT 14 15 19 CONECT 15 16 58 59 CONECT 16 17 17 18 CONECT 18 60 CONECT 19 20 61 62 CONECT 20 21 21 22 CONECT 22 63 CONECT 23 64 CONECT 24 25 CONECT 25 26 26 27 CONECT 27 28 28 32 CONECT 28 29 65 CONECT 29 30 30 66 CONECT 30 31 67 CONECT 31 32 32 68 CONECT 33 34 69 CONECT 34 35 45 45 CONECT 35 36 70 71 CONECT 36 37 41 CONECT 37 38 72 73 CONECT 38 39 39 40 CONECT 40 74 CONECT 41 42 75 76 CONECT 42 43 43 44 CONECT 44 77 CONECT 45 46 CONECT 46 78 END