COMPND HMDB0037802 HETATM 1 C1 UNL 1 11.973 -1.593 -0.905 1.00 0.00 C HETATM 2 C2 UNL 1 10.494 -1.528 -1.101 1.00 0.00 C HETATM 3 C3 UNL 1 9.982 -0.103 -1.021 1.00 0.00 C HETATM 4 C4 UNL 1 8.480 -0.075 -1.221 1.00 0.00 C HETATM 5 C5 UNL 1 7.933 1.321 -1.154 1.00 0.00 C HETATM 6 C6 UNL 1 6.447 1.401 -1.340 1.00 0.00 C HETATM 7 C7 UNL 1 5.695 0.625 -0.273 1.00 0.00 C HETATM 8 C8 UNL 1 4.213 0.784 -0.551 1.00 0.00 C HETATM 9 O1 UNL 1 3.428 0.117 0.389 1.00 0.00 O HETATM 10 C9 UNL 1 2.068 0.063 0.427 1.00 0.00 C HETATM 11 C10 UNL 1 1.279 0.689 -0.510 1.00 0.00 C HETATM 12 C11 UNL 1 -0.097 0.631 -0.461 1.00 0.00 C HETATM 13 C12 UNL 1 -0.771 -0.061 0.536 1.00 0.00 C HETATM 14 C13 UNL 1 -2.236 -0.095 0.553 1.00 0.00 C HETATM 15 N1 UNL 1 -2.874 0.504 -0.491 1.00 0.00 N HETATM 16 C14 UNL 1 -4.206 0.568 -0.580 1.00 0.00 C HETATM 17 C15 UNL 1 -4.964 1.173 -1.661 1.00 0.00 C HETATM 18 C16 UNL 1 -6.353 1.212 -1.595 1.00 0.00 C HETATM 19 C17 UNL 1 -7.111 1.768 -2.607 1.00 0.00 C HETATM 20 C18 UNL 1 -6.504 2.306 -3.725 1.00 0.00 C HETATM 21 C19 UNL 1 -7.342 2.910 -4.822 1.00 0.00 C HETATM 22 C20 UNL 1 -5.138 2.273 -3.800 1.00 0.00 C HETATM 23 C21 UNL 1 -4.370 1.702 -2.760 1.00 0.00 C HETATM 24 C22 UNL 1 -2.886 1.709 -2.914 1.00 0.00 C HETATM 25 N2 UNL 1 -4.881 0.000 0.433 1.00 0.00 N HETATM 26 C23 UNL 1 -4.327 -0.618 1.511 1.00 0.00 C HETATM 27 C24 UNL 1 -5.194 -1.155 2.539 1.00 0.00 C HETATM 28 C25 UNL 1 -6.571 -0.918 2.443 1.00 0.00 C HETATM 29 C26 UNL 1 -7.449 -1.403 3.391 1.00 0.00 C HETATM 30 C27 UNL 1 -7.009 -2.137 4.466 1.00 0.00 C HETATM 31 C28 UNL 1 -7.973 -2.662 5.499 1.00 0.00 C HETATM 32 C29 UNL 1 -5.660 -2.376 4.571 1.00 0.00 C HETATM 33 C30 UNL 1 -4.774 -1.878 3.598 1.00 0.00 C HETATM 34 C31 UNL 1 -3.335 -2.195 3.766 1.00 0.00 C HETATM 35 N3 UNL 1 -2.986 -0.636 1.517 1.00 0.00 N HETATM 36 C32 UNL 1 0.016 -0.683 1.466 1.00 0.00 C HETATM 37 O2 UNL 1 -0.559 -1.397 2.496 1.00 0.00 O HETATM 38 C33 UNL 1 1.411 -0.625 1.417 1.00 0.00 C HETATM 39 H1 UNL 1 12.495 -0.872 -1.585 1.00 0.00 H HETATM 40 H2 UNL 1 12.234 -1.244 0.122 1.00 0.00 H HETATM 41 H3 UNL 1 12.372 -2.588 -1.131 1.00 0.00 H HETATM 42 H4 UNL 1 9.973 -2.161 -0.361 1.00 0.00 H HETATM 43 H5 UNL 1 10.255 -1.967 -2.105 1.00 0.00 H HETATM 44 H6 UNL 1 10.448 0.516 -1.808 1.00 0.00 H HETATM 45 H7 UNL 1 10.279 0.342 -0.051 1.00 0.00 H HETATM 46 H8 UNL 1 8.277 -0.470 -2.232 1.00 0.00 H HETATM 47 H9 UNL 1 8.018 -0.676 -0.434 1.00 0.00 H HETATM 48 H10 UNL 1 8.196 1.831 -0.195 1.00 0.00 H HETATM 49 H11 UNL 1 8.384 1.965 -1.946 1.00 0.00 H HETATM 50 H12 UNL 1 6.207 1.029 -2.354 1.00 0.00 H HETATM 51 H13 UNL 1 6.158 2.466 -1.241 1.00 0.00 H HETATM 52 H14 UNL 1 5.967 0.955 0.742 1.00 0.00 H HETATM 53 H15 UNL 1 6.004 -0.435 -0.347 1.00 0.00 H HETATM 54 H16 UNL 1 4.019 0.346 -1.550 1.00 0.00 H HETATM 55 H17 UNL 1 3.949 1.871 -0.639 1.00 0.00 H HETATM 56 H18 UNL 1 1.787 1.241 -1.306 1.00 0.00 H HETATM 57 H19 UNL 1 -0.710 1.133 -1.208 1.00 0.00 H HETATM 58 H20 UNL 1 -6.802 0.784 -0.705 1.00 0.00 H HETATM 59 H21 UNL 1 -8.191 1.801 -2.557 1.00 0.00 H HETATM 60 H22 UNL 1 -7.452 2.225 -5.666 1.00 0.00 H HETATM 61 H23 UNL 1 -8.367 3.124 -4.446 1.00 0.00 H HETATM 62 H24 UNL 1 -6.913 3.883 -5.154 1.00 0.00 H HETATM 63 H25 UNL 1 -4.677 2.695 -4.678 1.00 0.00 H HETATM 64 H26 UNL 1 -2.446 0.711 -2.802 1.00 0.00 H HETATM 65 H27 UNL 1 -2.628 2.116 -3.913 1.00 0.00 H HETATM 66 H28 UNL 1 -2.445 2.424 -2.164 1.00 0.00 H HETATM 67 H29 UNL 1 -6.900 -0.339 1.591 1.00 0.00 H HETATM 68 H30 UNL 1 -8.511 -1.216 3.312 1.00 0.00 H HETATM 69 H31 UNL 1 -8.738 -1.891 5.726 1.00 0.00 H HETATM 70 H32 UNL 1 -8.504 -3.557 5.164 1.00 0.00 H HETATM 71 H33 UNL 1 -7.449 -2.873 6.440 1.00 0.00 H HETATM 72 H34 UNL 1 -5.283 -2.949 5.405 1.00 0.00 H HETATM 73 H35 UNL 1 -2.772 -1.299 4.040 1.00 0.00 H HETATM 74 H36 UNL 1 -3.181 -2.922 4.618 1.00 0.00 H HETATM 75 H37 UNL 1 -2.905 -2.619 2.834 1.00 0.00 H HETATM 76 H38 UNL 1 -0.012 -1.872 3.201 1.00 0.00 H HETATM 77 H39 UNL 1 2.014 -1.128 2.167 1.00 0.00 H CONECT 1 2 39 40 41 CONECT 2 3 42 43 CONECT 3 4 44 45 CONECT 4 5 46 47 CONECT 5 6 48 49 CONECT 6 7 50 51 CONECT 7 8 52 53 CONECT 8 9 54 55 CONECT 9 10 CONECT 10 11 11 38 CONECT 11 12 56 CONECT 12 13 13 57 CONECT 13 14 36 CONECT 14 15 15 35 CONECT 15 16 CONECT 16 17 25 25 CONECT 17 18 18 23 CONECT 18 19 58 CONECT 19 20 20 59 CONECT 20 21 22 CONECT 21 60 61 62 CONECT 22 23 23 63 CONECT 23 24 CONECT 24 64 65 66 CONECT 25 26 CONECT 26 27 35 35 CONECT 27 28 28 33 CONECT 28 29 67 CONECT 29 30 30 68 CONECT 30 31 32 CONECT 31 69 70 71 CONECT 32 33 33 72 CONECT 33 34 CONECT 34 73 74 75 CONECT 36 37 38 38 CONECT 37 76 CONECT 38 77 END