COMPND HMDB0039351 HETATM 1 C1 UNL 1 -4.120 -3.798 -2.510 1.00 0.00 C HETATM 2 O1 UNL 1 -2.995 -3.738 -1.631 1.00 0.00 O HETATM 3 C2 UNL 1 -2.271 -2.597 -1.890 1.00 0.00 C HETATM 4 C3 UNL 1 -2.342 -1.523 -0.999 1.00 0.00 C HETATM 5 C4 UNL 1 -1.865 -0.306 -1.586 1.00 0.00 C HETATM 6 C5 UNL 1 -0.765 -0.233 -2.499 1.00 0.00 C HETATM 7 C6 UNL 1 -0.458 -1.478 -3.082 1.00 0.00 C HETATM 8 O2 UNL 1 0.885 -1.811 -3.312 1.00 0.00 O HETATM 9 C7 UNL 1 1.520 -1.876 -2.002 1.00 0.00 C HETATM 10 O3 UNL 1 0.566 -1.882 -0.953 1.00 0.00 O HETATM 11 C8 UNL 1 0.988 -1.404 0.286 1.00 0.00 C HETATM 12 C9 UNL 1 0.663 0.121 0.572 1.00 0.00 C HETATM 13 O4 UNL 1 -0.387 0.999 0.004 1.00 0.00 O HETATM 14 C10 UNL 1 -1.118 2.183 0.556 1.00 0.00 C HETATM 15 O5 UNL 1 -0.473 3.231 1.309 1.00 0.00 O HETATM 16 C11 UNL 1 -1.272 4.425 1.291 1.00 0.00 C HETATM 17 C12 UNL 1 -2.253 4.477 2.472 1.00 0.00 C HETATM 18 O6 UNL 1 -3.274 3.490 2.379 1.00 0.00 O HETATM 19 C13 UNL 1 -1.890 4.429 -0.085 1.00 0.00 C HETATM 20 O7 UNL 1 -3.047 5.239 -0.254 1.00 0.00 O HETATM 21 C14 UNL 1 -2.167 2.955 -0.357 1.00 0.00 C HETATM 22 O8 UNL 1 -2.159 2.783 -1.766 1.00 0.00 O HETATM 23 C15 UNL 1 2.470 -1.860 0.539 1.00 0.00 C HETATM 24 O9 UNL 1 3.424 -0.875 0.118 1.00 0.00 O HETATM 25 C16 UNL 1 2.785 -3.172 -0.237 1.00 0.00 C HETATM 26 O10 UNL 1 2.181 -4.281 0.442 1.00 0.00 O HETATM 27 C17 UNL 1 2.366 -3.133 -1.748 1.00 0.00 C HETATM 28 O11 UNL 1 1.658 -4.357 -2.047 1.00 0.00 O HETATM 29 C18 UNL 1 -1.331 -2.590 -2.945 1.00 0.00 C HETATM 30 O12 UNL 1 -1.114 -3.792 -3.585 1.00 0.00 O HETATM 31 C19 UNL 1 -0.744 -3.647 -4.955 1.00 0.00 C HETATM 32 C20 UNL 1 0.132 1.048 -2.712 1.00 0.00 C HETATM 33 C21 UNL 1 1.454 1.600 -1.900 1.00 0.00 C HETATM 34 C22 UNL 1 1.461 2.723 -0.725 1.00 0.00 C HETATM 35 C23 UNL 1 2.077 2.580 0.774 1.00 0.00 C HETATM 36 C24 UNL 1 1.765 2.198 2.074 1.00 0.00 C HETATM 37 C25 UNL 1 0.669 1.574 3.142 1.00 0.00 C HETATM 38 C26 UNL 1 -0.893 0.902 3.262 1.00 0.00 C HETATM 39 C27 UNL 1 -1.470 -0.430 2.630 1.00 0.00 C HETATM 40 C28 UNL 1 -1.175 -1.647 3.233 1.00 0.00 C HETATM 41 C29 UNL 1 -1.555 -2.842 2.605 1.00 0.00 C HETATM 42 C30 UNL 1 -2.084 -2.864 1.292 1.00 0.00 C HETATM 43 O13 UNL 1 -2.210 -4.133 0.798 1.00 0.00 O HETATM 44 C31 UNL 1 -2.363 -1.681 0.581 1.00 0.00 C HETATM 45 C32 UNL 1 -2.252 -0.523 1.414 1.00 0.00 C HETATM 46 H1 UNL 1 -3.809 -3.943 -3.550 1.00 0.00 H HETATM 47 H2 UNL 1 -4.725 -4.661 -2.217 1.00 0.00 H HETATM 48 H3 UNL 1 -4.743 -2.901 -2.419 1.00 0.00 H HETATM 49 H4 UNL 1 -2.207 0.602 -1.129 1.00 0.00 H HETATM 50 H5 UNL 1 2.185 -1.021 -1.963 1.00 0.00 H HETATM 51 H6 UNL 1 0.412 -1.987 0.998 1.00 0.00 H HETATM 52 H7 UNL 1 0.615 0.110 1.633 1.00 0.00 H HETATM 53 H8 UNL 1 1.602 0.539 0.284 1.00 0.00 H HETATM 54 H9 UNL 1 -1.772 1.794 1.298 1.00 0.00 H HETATM 55 H10 UNL 1 -0.588 5.275 1.400 1.00 0.00 H HETATM 56 H11 UNL 1 -1.714 4.306 3.409 1.00 0.00 H HETATM 57 H12 UNL 1 -2.736 5.459 2.515 1.00 0.00 H HETATM 58 H13 UNL 1 -3.871 3.621 3.136 1.00 0.00 H HETATM 59 H14 UNL 1 -1.154 4.788 -0.815 1.00 0.00 H HETATM 60 H15 UNL 1 -2.765 6.169 -0.193 1.00 0.00 H HETATM 61 H16 UNL 1 -3.180 2.680 -0.038 1.00 0.00 H HETATM 62 H17 UNL 1 -2.867 3.358 -2.112 1.00 0.00 H HETATM 63 H18 UNL 1 2.604 -1.998 1.619 1.00 0.00 H HETATM 64 H19 UNL 1 4.253 -1.063 0.594 1.00 0.00 H HETATM 65 H20 UNL 1 3.867 -3.349 -0.205 1.00 0.00 H HETATM 66 H21 UNL 1 1.804 -4.841 -0.272 1.00 0.00 H HETATM 67 H22 UNL 1 3.247 -3.113 -2.398 1.00 0.00 H HETATM 68 H23 UNL 1 0.733 -4.101 -2.252 1.00 0.00 H HETATM 69 H24 UNL 1 -1.275 -2.823 -5.445 1.00 0.00 H HETATM 70 H25 UNL 1 -1.020 -4.572 -5.470 1.00 0.00 H HETATM 71 H26 UNL 1 0.338 -3.527 -5.052 1.00 0.00 H HETATM 72 H27 UNL 1 -0.519 1.901 -2.890 1.00 0.00 H HETATM 73 H28 UNL 1 0.538 0.868 -3.721 1.00 0.00 H HETATM 74 H29 UNL 1 2.134 0.803 -1.630 1.00 0.00 H HETATM 75 H30 UNL 1 2.001 2.112 -2.709 1.00 0.00 H HETATM 76 H31 UNL 1 2.148 3.484 -1.137 1.00 0.00 H HETATM 77 H32 UNL 1 0.536 3.285 -0.756 1.00 0.00 H HETATM 78 H33 UNL 1 3.115 2.929 0.700 1.00 0.00 H HETATM 79 H34 UNL 1 2.647 2.360 2.713 1.00 0.00 H HETATM 80 H35 UNL 1 1.274 0.796 3.638 1.00 0.00 H HETATM 81 H36 UNL 1 0.605 2.392 3.878 1.00 0.00 H HETATM 82 H37 UNL 1 -0.955 0.696 4.345 1.00 0.00 H HETATM 83 H38 UNL 1 -1.631 1.701 3.174 1.00 0.00 H HETATM 84 H39 UNL 1 -0.647 -1.692 4.181 1.00 0.00 H HETATM 85 H40 UNL 1 -1.335 -3.791 3.092 1.00 0.00 H HETATM 86 H41 UNL 1 -2.538 -4.074 -0.117 1.00 0.00 H HETATM 87 H42 UNL 1 -2.740 0.347 1.002 1.00 0.00 H CONECT 1 2 46 47 48 CONECT 2 3 CONECT 3 4 4 29 CONECT 4 5 44 CONECT 5 6 6 49 CONECT 6 7 32 CONECT 7 8 29 29 CONECT 8 9 CONECT 9 10 27 50 CONECT 10 11 CONECT 11 12 23 51 CONECT 12 13 52 53 CONECT 13 14 CONECT 14 15 21 54 CONECT 15 16 CONECT 16 17 19 55 CONECT 17 18 56 57 CONECT 18 58 CONECT 19 20 21 59 CONECT 20 60 CONECT 21 22 61 CONECT 22 62 CONECT 23 24 25 63 CONECT 24 64 CONECT 25 26 27 65 CONECT 26 66 CONECT 27 28 67 CONECT 28 68 CONECT 29 30 CONECT 30 31 CONECT 31 69 70 71 CONECT 32 33 72 73 CONECT 33 34 74 75 CONECT 34 35 76 77 CONECT 35 36 36 78 CONECT 36 37 79 CONECT 37 38 80 81 CONECT 38 39 82 83 CONECT 39 40 45 45 CONECT 40 41 41 84 CONECT 41 42 85 CONECT 42 43 44 44 CONECT 43 86 CONECT 44 45 CONECT 45 87 END