COMPND HMDB0039245 HETATM 1 O1 UNL 1 -3.620 -0.755 -4.863 1.00 0.00 O HETATM 2 C1 UNL 1 -3.107 -0.918 -3.737 1.00 0.00 C HETATM 3 O2 UNL 1 -1.811 -1.467 -3.714 1.00 0.00 O HETATM 4 C2 UNL 1 -1.069 -1.657 -2.503 1.00 0.00 C HETATM 5 C3 UNL 1 -0.656 -0.322 -1.988 1.00 0.00 C HETATM 6 O3 UNL 1 -1.070 0.725 -2.818 1.00 0.00 O HETATM 7 C4 UNL 1 -1.016 -0.144 -0.569 1.00 0.00 C HETATM 8 C5 UNL 1 0.092 0.367 0.320 1.00 0.00 C HETATM 9 O4 UNL 1 1.120 -0.551 0.572 1.00 0.00 O HETATM 10 C6 UNL 1 2.216 -1.254 0.281 1.00 0.00 C HETATM 11 O5 UNL 1 2.002 -2.118 -0.701 1.00 0.00 O HETATM 12 C7 UNL 1 3.608 -1.355 0.747 1.00 0.00 C HETATM 13 C8 UNL 1 3.984 -2.516 1.432 1.00 0.00 C HETATM 14 C9 UNL 1 5.238 -2.740 1.952 1.00 0.00 C HETATM 15 O6 UNL 1 5.497 -3.943 2.619 1.00 0.00 O HETATM 16 C10 UNL 1 6.208 -1.793 1.813 1.00 0.00 C HETATM 17 O7 UNL 1 7.479 -2.002 2.334 1.00 0.00 O HETATM 18 C11 UNL 1 5.918 -0.593 1.137 1.00 0.00 C HETATM 19 O8 UNL 1 6.977 0.286 1.073 1.00 0.00 O HETATM 20 C12 UNL 1 4.682 -0.400 0.634 1.00 0.00 C HETATM 21 C13 UNL 1 4.377 0.901 -0.075 1.00 0.00 C HETATM 22 C14 UNL 1 4.970 1.189 -1.262 1.00 0.00 C HETATM 23 O9 UNL 1 6.145 0.647 -1.755 1.00 0.00 O HETATM 24 C15 UNL 1 4.410 2.112 -2.169 1.00 0.00 C HETATM 25 O10 UNL 1 4.993 2.431 -3.375 1.00 0.00 O HETATM 26 C16 UNL 1 3.228 2.709 -1.818 1.00 0.00 C HETATM 27 O11 UNL 1 2.582 3.630 -2.645 1.00 0.00 O HETATM 28 C17 UNL 1 2.670 2.390 -0.618 1.00 0.00 C HETATM 29 C18 UNL 1 3.160 1.532 0.316 1.00 0.00 C HETATM 30 C19 UNL 1 2.476 1.218 1.528 1.00 0.00 C HETATM 31 O12 UNL 1 2.616 0.563 2.622 1.00 0.00 O HETATM 32 O13 UNL 1 1.236 1.919 1.442 1.00 0.00 O HETATM 33 C20 UNL 1 0.700 1.580 0.040 1.00 0.00 C HETATM 34 C21 UNL 1 1.134 2.820 -0.535 1.00 0.00 C HETATM 35 O14 UNL 1 0.690 3.210 -1.745 1.00 0.00 O HETATM 36 O15 UNL 1 -1.654 -1.225 -0.066 1.00 0.00 O HETATM 37 C22 UNL 1 -2.018 -1.810 1.079 1.00 0.00 C HETATM 38 O16 UNL 1 -1.328 -2.790 1.619 1.00 0.00 O HETATM 39 C23 UNL 1 -3.207 -1.437 1.846 1.00 0.00 C HETATM 40 C24 UNL 1 -3.185 -1.704 3.196 1.00 0.00 C HETATM 41 C25 UNL 1 -4.281 -1.436 3.985 1.00 0.00 C HETATM 42 O17 UNL 1 -4.230 -1.715 5.345 1.00 0.00 O HETATM 43 C26 UNL 1 -5.396 -0.899 3.399 1.00 0.00 C HETATM 44 O18 UNL 1 -6.530 -0.614 4.170 1.00 0.00 O HETATM 45 C27 UNL 1 -5.442 -0.623 2.056 1.00 0.00 C HETATM 46 O19 UNL 1 -6.596 -0.089 1.517 1.00 0.00 O HETATM 47 C28 UNL 1 -4.369 -0.871 1.225 1.00 0.00 C HETATM 48 C29 UNL 1 -4.416 -0.500 -0.214 1.00 0.00 C HETATM 49 C30 UNL 1 -3.963 -1.212 -1.319 1.00 0.00 C HETATM 50 C31 UNL 1 -3.870 -0.524 -2.508 1.00 0.00 C HETATM 51 C32 UNL 1 -4.254 0.842 -2.596 1.00 0.00 C HETATM 52 O20 UNL 1 -4.173 1.528 -3.831 1.00 0.00 O HETATM 53 C33 UNL 1 -4.717 1.542 -1.501 1.00 0.00 C HETATM 54 O21 UNL 1 -5.085 2.876 -1.635 1.00 0.00 O HETATM 55 C34 UNL 1 -4.792 0.863 -0.307 1.00 0.00 C HETATM 56 O22 UNL 1 -5.251 1.627 0.749 1.00 0.00 O HETATM 57 H1 UNL 1 -0.135 -2.240 -2.739 1.00 0.00 H HETATM 58 H2 UNL 1 -1.679 -2.246 -1.826 1.00 0.00 H HETATM 59 H3 UNL 1 0.489 -0.284 -2.123 1.00 0.00 H HETATM 60 H4 UNL 1 -0.923 0.449 -3.759 1.00 0.00 H HETATM 61 H5 UNL 1 -1.755 0.722 -0.551 1.00 0.00 H HETATM 62 H6 UNL 1 -0.460 0.412 1.334 1.00 0.00 H HETATM 63 H7 UNL 1 3.300 -3.378 1.609 1.00 0.00 H HETATM 64 H8 UNL 1 6.365 -4.198 3.028 1.00 0.00 H HETATM 65 H9 UNL 1 7.801 -2.795 2.825 1.00 0.00 H HETATM 66 H10 UNL 1 7.871 0.131 1.452 1.00 0.00 H HETATM 67 H11 UNL 1 6.656 -0.048 -1.337 1.00 0.00 H HETATM 68 H12 UNL 1 5.862 1.986 -3.622 1.00 0.00 H HETATM 69 H13 UNL 1 2.960 3.888 -3.527 1.00 0.00 H HETATM 70 H14 UNL 1 1.628 0.971 -0.551 1.00 0.00 H HETATM 71 H15 UNL 1 1.179 3.670 0.141 1.00 0.00 H HETATM 72 H16 UNL 1 0.418 4.165 -1.790 1.00 0.00 H HETATM 73 H17 UNL 1 -2.311 -2.134 3.691 1.00 0.00 H HETATM 74 H18 UNL 1 -3.400 -2.110 5.748 1.00 0.00 H HETATM 75 H19 UNL 1 -6.513 -0.811 5.161 1.00 0.00 H HETATM 76 H20 UNL 1 -7.431 0.133 1.996 1.00 0.00 H HETATM 77 H21 UNL 1 -3.824 -2.350 -1.262 1.00 0.00 H HETATM 78 H22 UNL 1 -4.457 2.486 -3.829 1.00 0.00 H HETATM 79 H23 UNL 1 -5.426 3.498 -0.969 1.00 0.00 H HETATM 80 H24 UNL 1 -5.515 2.553 0.721 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 50 CONECT 3 4 CONECT 4 5 57 58 CONECT 5 6 7 59 CONECT 6 60 CONECT 7 8 36 61 CONECT 8 9 33 62 CONECT 9 10 CONECT 10 11 11 12 CONECT 12 13 13 20 CONECT 13 14 63 CONECT 14 15 16 16 CONECT 15 64 CONECT 16 17 18 CONECT 17 65 CONECT 18 19 20 20 CONECT 19 66 CONECT 20 21 CONECT 21 22 22 29 CONECT 22 23 24 CONECT 23 67 CONECT 24 25 26 26 CONECT 25 68 CONECT 26 27 28 CONECT 27 69 CONECT 28 29 29 34 CONECT 29 30 CONECT 30 31 31 32 CONECT 32 33 CONECT 33 34 70 CONECT 34 35 71 CONECT 35 72 CONECT 36 37 CONECT 37 38 38 39 CONECT 39 40 40 47 CONECT 40 41 73 CONECT 41 42 43 43 CONECT 42 74 CONECT 43 44 45 CONECT 44 75 CONECT 45 46 47 47 CONECT 46 76 CONECT 47 48 CONECT 48 49 49 55 CONECT 49 50 77 CONECT 50 51 51 CONECT 51 52 53 CONECT 52 78 CONECT 53 54 55 55 CONECT 54 79 CONECT 55 56 CONECT 56 80 END