COMPND HMDB0039488 HETATM 1 C1 UNL 1 8.844 3.144 0.934 1.00 0.00 C HETATM 2 C2 UNL 1 7.580 2.448 0.650 1.00 0.00 C HETATM 3 C3 UNL 1 6.552 3.140 0.006 1.00 0.00 C HETATM 4 C4 UNL 1 5.381 2.480 -0.255 1.00 0.00 C HETATM 5 O1 UNL 1 4.339 3.128 -0.890 1.00 0.00 O HETATM 6 C5 UNL 1 5.220 1.162 0.110 1.00 0.00 C HETATM 7 C6 UNL 1 6.252 0.474 0.755 1.00 0.00 C HETATM 8 C7 UNL 1 7.429 1.138 1.017 1.00 0.00 C HETATM 9 C8 UNL 1 6.109 -0.911 1.145 1.00 0.00 C HETATM 10 O2 UNL 1 7.012 -1.572 1.729 1.00 0.00 O HETATM 11 C9 UNL 1 4.827 -1.581 0.838 1.00 0.00 C HETATM 12 C10 UNL 1 4.645 -2.906 1.186 1.00 0.00 C HETATM 13 C11 UNL 1 3.488 -3.574 0.923 1.00 0.00 C HETATM 14 C12 UNL 1 2.468 -2.955 0.306 1.00 0.00 C HETATM 15 C13 UNL 1 2.571 -1.591 -0.088 1.00 0.00 C HETATM 16 O3 UNL 1 1.582 -1.009 -0.680 1.00 0.00 O HETATM 17 C14 UNL 1 0.607 -0.428 -1.267 1.00 0.00 C HETATM 18 O4 UNL 1 -0.587 -0.312 -0.496 1.00 0.00 O HETATM 19 C15 UNL 1 -1.175 -1.524 -0.235 1.00 0.00 C HETATM 20 C16 UNL 1 -2.415 -1.205 0.615 1.00 0.00 C HETATM 21 O5 UNL 1 -3.211 -0.380 -0.139 1.00 0.00 O HETATM 22 C17 UNL 1 -4.394 0.016 0.505 1.00 0.00 C HETATM 23 O6 UNL 1 -4.314 1.366 0.728 1.00 0.00 O HETATM 24 C18 UNL 1 -5.511 1.850 1.183 1.00 0.00 C HETATM 25 C19 UNL 1 -5.994 1.283 2.477 1.00 0.00 C HETATM 26 O7 UNL 1 -5.098 1.518 3.524 1.00 0.00 O HETATM 27 C20 UNL 1 -6.629 1.805 0.163 1.00 0.00 C HETATM 28 O8 UNL 1 -6.656 2.967 -0.618 1.00 0.00 O HETATM 29 C21 UNL 1 -6.465 0.647 -0.794 1.00 0.00 C HETATM 30 O9 UNL 1 -5.939 1.063 -2.027 1.00 0.00 O HETATM 31 C22 UNL 1 -5.612 -0.450 -0.224 1.00 0.00 C HETATM 32 O10 UNL 1 -5.295 -1.302 -1.308 1.00 0.00 O HETATM 33 C23 UNL 1 -1.650 -2.216 -1.510 1.00 0.00 C HETATM 34 O11 UNL 1 -1.097 -3.462 -1.669 1.00 0.00 O HETATM 35 C24 UNL 1 -1.251 -1.252 -2.638 1.00 0.00 C HETATM 36 O12 UNL 1 -1.716 -1.692 -3.856 1.00 0.00 O HETATM 37 C25 UNL 1 0.252 -1.177 -2.577 1.00 0.00 C HETATM 38 O13 UNL 1 0.845 -0.605 -3.672 1.00 0.00 O HETATM 39 C26 UNL 1 3.787 -0.944 0.207 1.00 0.00 C HETATM 40 C27 UNL 1 3.976 0.467 -0.173 1.00 0.00 C HETATM 41 O14 UNL 1 3.082 1.112 -0.747 1.00 0.00 O HETATM 42 H1 UNL 1 8.978 3.354 2.011 1.00 0.00 H HETATM 43 H2 UNL 1 8.878 4.134 0.411 1.00 0.00 H HETATM 44 H3 UNL 1 9.702 2.568 0.517 1.00 0.00 H HETATM 45 H4 UNL 1 6.721 4.155 -0.258 1.00 0.00 H HETATM 46 H5 UNL 1 4.411 4.094 -1.177 1.00 0.00 H HETATM 47 H6 UNL 1 8.248 0.633 1.515 1.00 0.00 H HETATM 48 H7 UNL 1 5.462 -3.390 1.677 1.00 0.00 H HETATM 49 H8 UNL 1 3.378 -4.641 1.218 1.00 0.00 H HETATM 50 H9 UNL 1 1.514 -3.425 0.061 1.00 0.00 H HETATM 51 H10 UNL 1 0.729 0.658 -1.612 1.00 0.00 H HETATM 52 H11 UNL 1 -0.555 -2.247 0.309 1.00 0.00 H HETATM 53 H12 UNL 1 -2.933 -2.173 0.859 1.00 0.00 H HETATM 54 H13 UNL 1 -2.106 -0.771 1.586 1.00 0.00 H HETATM 55 H14 UNL 1 -4.349 -0.487 1.517 1.00 0.00 H HETATM 56 H15 UNL 1 -5.344 2.953 1.378 1.00 0.00 H HETATM 57 H16 UNL 1 -6.933 1.855 2.736 1.00 0.00 H HETATM 58 H17 UNL 1 -6.282 0.234 2.437 1.00 0.00 H HETATM 59 H18 UNL 1 -5.321 0.947 4.300 1.00 0.00 H HETATM 60 H19 UNL 1 -7.620 1.737 0.657 1.00 0.00 H HETATM 61 H20 UNL 1 -6.902 3.737 -0.051 1.00 0.00 H HETATM 62 H21 UNL 1 -7.467 0.220 -1.011 1.00 0.00 H HETATM 63 H22 UNL 1 -5.272 1.786 -1.910 1.00 0.00 H HETATM 64 H23 UNL 1 -6.235 -1.106 0.452 1.00 0.00 H HETATM 65 H24 UNL 1 -6.069 -1.900 -1.508 1.00 0.00 H HETATM 66 H25 UNL 1 -2.751 -2.299 -1.555 1.00 0.00 H HETATM 67 H26 UNL 1 -0.787 -3.781 -0.773 1.00 0.00 H HETATM 68 H27 UNL 1 -1.658 -0.254 -2.347 1.00 0.00 H HETATM 69 H28 UNL 1 -2.186 -2.574 -3.778 1.00 0.00 H HETATM 70 H29 UNL 1 0.612 -2.242 -2.498 1.00 0.00 H HETATM 71 H30 UNL 1 0.299 0.065 -4.136 1.00 0.00 H CONECT 1 2 42 43 44 CONECT 2 3 3 8 CONECT 3 4 45 CONECT 4 5 6 6 CONECT 5 46 CONECT 6 7 40 CONECT 7 8 8 9 CONECT 8 47 CONECT 9 10 10 11 CONECT 11 12 12 39 CONECT 12 13 48 CONECT 13 14 14 49 CONECT 14 15 50 CONECT 15 16 39 39 CONECT 16 17 CONECT 17 18 37 51 CONECT 18 19 CONECT 19 20 33 52 CONECT 20 21 53 54 CONECT 21 22 CONECT 22 23 31 55 CONECT 23 24 CONECT 24 25 27 56 CONECT 25 26 57 58 CONECT 26 59 CONECT 27 28 29 60 CONECT 28 61 CONECT 29 30 31 62 CONECT 30 63 CONECT 31 32 64 CONECT 32 65 CONECT 33 34 35 66 CONECT 34 67 CONECT 35 36 37 68 CONECT 36 69 CONECT 37 38 70 CONECT 38 71 CONECT 39 40 CONECT 40 41 41 END