COMPND HMDB0059793 HETATM 1 C1 UNL 1 4.309 0.708 -3.262 1.00 0.00 C HETATM 2 C2 UNL 1 5.143 -0.361 -2.620 1.00 0.00 C HETATM 3 O1 UNL 1 6.333 0.212 -2.182 1.00 0.00 O HETATM 4 C3 UNL 1 4.473 -0.972 -1.399 1.00 0.00 C HETATM 5 N1 UNL 1 3.222 -1.589 -1.733 1.00 0.00 N HETATM 6 C4 UNL 1 2.385 -1.982 -0.852 1.00 0.00 C HETATM 7 O2 UNL 1 1.197 -2.568 -1.307 1.00 0.00 O HETATM 8 C5 UNL 1 2.641 -1.833 0.569 1.00 0.00 C HETATM 9 C6 UNL 1 2.453 -3.133 1.342 1.00 0.00 C HETATM 10 C7 UNL 1 2.191 -2.657 2.751 1.00 0.00 C HETATM 11 C8 UNL 1 2.157 -1.148 2.667 1.00 0.00 C HETATM 12 N2 UNL 1 1.745 -0.950 1.287 1.00 0.00 N HETATM 13 C9 UNL 1 0.765 -0.122 0.732 1.00 0.00 C HETATM 14 O3 UNL 1 0.597 -0.165 -0.514 1.00 0.00 O HETATM 15 C10 UNL 1 -0.113 0.816 1.459 1.00 0.00 C HETATM 16 C11 UNL 1 0.633 1.919 2.155 1.00 0.00 C HETATM 17 C12 UNL 1 1.434 2.774 1.296 1.00 0.00 C HETATM 18 C13 UNL 1 0.937 3.918 0.706 1.00 0.00 C HETATM 19 C14 UNL 1 1.754 4.709 -0.114 1.00 0.00 C HETATM 20 C15 UNL 1 3.063 4.352 -0.339 1.00 0.00 C HETATM 21 O4 UNL 1 3.914 5.104 -1.145 1.00 0.00 O HETATM 22 C16 UNL 1 3.564 3.227 0.237 1.00 0.00 C HETATM 23 C17 UNL 1 2.749 2.463 1.038 1.00 0.00 C HETATM 24 N3 UNL 1 -1.128 1.399 0.640 1.00 0.00 N HETATM 25 C18 UNL 1 -2.223 0.800 0.327 1.00 0.00 C HETATM 26 O5 UNL 1 -2.425 -0.474 0.808 1.00 0.00 O HETATM 27 C19 UNL 1 -3.261 1.433 -0.524 1.00 0.00 C HETATM 28 C20 UNL 1 -3.544 0.674 -1.800 1.00 0.00 C HETATM 29 C21 UNL 1 -4.024 -0.704 -1.583 1.00 0.00 C HETATM 30 C22 UNL 1 -3.134 -1.773 -1.515 1.00 0.00 C HETATM 31 C23 UNL 1 -3.644 -3.038 -1.314 1.00 0.00 C HETATM 32 C24 UNL 1 -4.987 -3.300 -1.177 1.00 0.00 C HETATM 33 O6 UNL 1 -5.471 -4.584 -0.976 1.00 0.00 O HETATM 34 C25 UNL 1 -5.873 -2.217 -1.247 1.00 0.00 C HETATM 35 C26 UNL 1 -5.363 -0.954 -1.447 1.00 0.00 C HETATM 36 N4 UNL 1 -4.470 1.753 0.124 1.00 0.00 N HETATM 37 C27 UNL 1 -5.178 1.214 0.988 1.00 0.00 C HETATM 38 O7 UNL 1 -4.859 0.003 1.567 1.00 0.00 O HETATM 39 C28 UNL 1 -6.439 1.854 1.462 1.00 0.00 C HETATM 40 N5 UNL 1 -7.576 1.000 1.214 1.00 0.00 N HETATM 41 C29 UNL 1 5.382 -2.036 -0.871 1.00 0.00 C HETATM 42 O8 UNL 1 5.052 -3.226 -0.779 1.00 0.00 O HETATM 43 O9 UNL 1 6.645 -1.617 -0.479 1.00 0.00 O HETATM 44 H1 UNL 1 3.995 0.388 -4.293 1.00 0.00 H HETATM 45 H2 UNL 1 4.883 1.653 -3.428 1.00 0.00 H HETATM 46 H3 UNL 1 3.413 0.956 -2.677 1.00 0.00 H HETATM 47 H4 UNL 1 5.354 -1.155 -3.365 1.00 0.00 H HETATM 48 H5 UNL 1 6.204 0.582 -1.270 1.00 0.00 H HETATM 49 H6 UNL 1 4.420 -0.186 -0.626 1.00 0.00 H HETATM 50 H7 UNL 1 1.280 -3.269 -2.034 1.00 0.00 H HETATM 51 H8 UNL 1 3.661 -1.425 0.758 1.00 0.00 H HETATM 52 H9 UNL 1 3.329 -3.802 1.280 1.00 0.00 H HETATM 53 H10 UNL 1 1.536 -3.610 0.911 1.00 0.00 H HETATM 54 H11 UNL 1 3.045 -2.997 3.378 1.00 0.00 H HETATM 55 H12 UNL 1 1.240 -3.067 3.151 1.00 0.00 H HETATM 56 H13 UNL 1 1.489 -0.697 3.414 1.00 0.00 H HETATM 57 H14 UNL 1 3.174 -0.738 2.759 1.00 0.00 H HETATM 58 H15 UNL 1 -0.608 0.228 2.255 1.00 0.00 H HETATM 59 H16 UNL 1 1.144 1.590 3.075 1.00 0.00 H HETATM 60 H17 UNL 1 -0.192 2.589 2.559 1.00 0.00 H HETATM 61 H18 UNL 1 -0.072 4.233 0.855 1.00 0.00 H HETATM 62 H19 UNL 1 1.386 5.612 -0.590 1.00 0.00 H HETATM 63 H20 UNL 1 4.488 5.854 -0.785 1.00 0.00 H HETATM 64 H21 UNL 1 4.593 2.919 0.079 1.00 0.00 H HETATM 65 H22 UNL 1 3.148 1.585 1.486 1.00 0.00 H HETATM 66 H23 UNL 1 -1.706 -1.126 1.059 1.00 0.00 H HETATM 67 H24 UNL 1 -2.811 2.450 -0.839 1.00 0.00 H HETATM 68 H25 UNL 1 -4.372 1.226 -2.311 1.00 0.00 H HETATM 69 H26 UNL 1 -2.660 0.680 -2.479 1.00 0.00 H HETATM 70 H27 UNL 1 -2.057 -1.619 -1.625 1.00 0.00 H HETATM 71 H28 UNL 1 -2.976 -3.907 -1.253 1.00 0.00 H HETATM 72 H29 UNL 1 -5.557 -4.882 -0.013 1.00 0.00 H HETATM 73 H30 UNL 1 -6.945 -2.395 -1.142 1.00 0.00 H HETATM 74 H31 UNL 1 -6.110 -0.142 -1.493 1.00 0.00 H HETATM 75 H32 UNL 1 -5.597 -0.660 1.752 1.00 0.00 H HETATM 76 H33 UNL 1 -6.561 2.798 0.924 1.00 0.00 H HETATM 77 H34 UNL 1 -6.385 2.095 2.548 1.00 0.00 H HETATM 78 H35 UNL 1 -7.332 0.058 0.870 1.00 0.00 H HETATM 79 H36 UNL 1 -8.281 1.501 0.633 1.00 0.00 H HETATM 80 H37 UNL 1 7.412 -2.249 -0.402 1.00 0.00 H CONECT 1 2 44 45 46 CONECT 2 3 4 47 CONECT 3 48 CONECT 4 5 41 49 CONECT 5 6 6 CONECT 6 7 8 CONECT 7 50 CONECT 8 9 12 51 CONECT 9 10 52 53 CONECT 10 11 54 55 CONECT 11 12 56 57 CONECT 12 13 CONECT 13 14 14 15 CONECT 15 16 24 58 CONECT 16 17 59 60 CONECT 17 18 18 23 CONECT 18 19 61 CONECT 19 20 20 62 CONECT 20 21 22 CONECT 21 63 CONECT 22 23 23 64 CONECT 23 65 CONECT 24 25 25 CONECT 25 26 27 CONECT 26 66 CONECT 27 28 36 67 CONECT 28 29 68 69 CONECT 29 30 30 35 CONECT 30 31 70 CONECT 31 32 32 71 CONECT 32 33 34 CONECT 33 72 CONECT 34 35 35 73 CONECT 35 74 CONECT 36 37 37 CONECT 37 38 39 CONECT 38 75 CONECT 39 40 76 77 CONECT 40 78 79 CONECT 41 42 42 43 CONECT 43 80 END