COMPND HMDB0040723 HETATM 1 C1 UNL 1 -0.143 -2.648 -0.193 1.00 0.00 C HETATM 2 C2 UNL 1 0.931 -1.644 -0.466 1.00 0.00 C HETATM 3 C3 UNL 1 2.183 -2.075 -0.829 1.00 0.00 C HETATM 4 C4 UNL 1 3.153 -1.130 -1.072 1.00 0.00 C HETATM 5 C5 UNL 1 4.442 -1.521 -1.448 1.00 0.00 C HETATM 6 C6 UNL 1 4.703 -2.966 -1.522 1.00 0.00 C HETATM 7 C7 UNL 1 6.014 -3.289 -2.254 1.00 0.00 C HETATM 8 C8 UNL 1 4.884 -3.514 -0.094 1.00 0.00 C HETATM 9 C9 UNL 1 5.412 -0.573 -1.696 1.00 0.00 C HETATM 10 O1 UNL 1 6.686 -0.945 -2.065 1.00 0.00 O HETATM 11 C10 UNL 1 5.153 0.766 -1.585 1.00 0.00 C HETATM 12 O2 UNL 1 6.107 1.742 -1.829 1.00 0.00 O HETATM 13 C11 UNL 1 3.853 1.175 -1.206 1.00 0.00 C HETATM 14 C12 UNL 1 3.634 2.605 -1.097 1.00 0.00 C HETATM 15 O3 UNL 1 4.611 3.393 -1.347 1.00 0.00 O HETATM 16 C13 UNL 1 2.895 0.236 -0.961 1.00 0.00 C HETATM 17 C14 UNL 1 1.597 0.615 -0.586 1.00 0.00 C HETATM 18 O4 UNL 1 1.279 1.929 -0.464 1.00 0.00 O HETATM 19 C15 UNL 1 0.601 -0.327 -0.335 1.00 0.00 C HETATM 20 C16 UNL 1 -0.725 0.128 0.021 1.00 0.00 C HETATM 21 C17 UNL 1 -1.603 0.501 -0.950 1.00 0.00 C HETATM 22 C18 UNL 1 -1.175 0.492 -2.363 1.00 0.00 C HETATM 23 C19 UNL 1 -2.890 0.883 -0.611 1.00 0.00 C HETATM 24 C20 UNL 1 -3.323 0.897 0.706 1.00 0.00 C HETATM 25 C21 UNL 1 -4.625 1.277 1.009 1.00 0.00 C HETATM 26 C22 UNL 1 -5.505 1.667 -0.106 1.00 0.00 C HETATM 27 C23 UNL 1 -6.950 1.871 0.287 1.00 0.00 C HETATM 28 C24 UNL 1 -5.035 3.024 -0.630 1.00 0.00 C HETATM 29 C25 UNL 1 -4.986 1.261 2.318 1.00 0.00 C HETATM 30 O5 UNL 1 -6.291 1.644 2.609 1.00 0.00 O HETATM 31 C26 UNL 1 -4.131 0.894 3.308 1.00 0.00 C HETATM 32 O6 UNL 1 -4.534 0.890 4.632 1.00 0.00 O HETATM 33 C27 UNL 1 -2.800 0.503 3.021 1.00 0.00 C HETATM 34 C28 UNL 1 -1.947 0.123 4.122 1.00 0.00 C HETATM 35 O7 UNL 1 -2.443 0.163 5.301 1.00 0.00 O HETATM 36 C29 UNL 1 -2.423 0.515 1.701 1.00 0.00 C HETATM 37 C30 UNL 1 -1.150 0.140 1.350 1.00 0.00 C HETATM 38 O8 UNL 1 -0.225 -0.245 2.286 1.00 0.00 O HETATM 39 H1 UNL 1 -0.181 -2.932 0.875 1.00 0.00 H HETATM 40 H2 UNL 1 -1.133 -2.295 -0.481 1.00 0.00 H HETATM 41 H3 UNL 1 0.086 -3.557 -0.806 1.00 0.00 H HETATM 42 H4 UNL 1 2.404 -3.123 -0.929 1.00 0.00 H HETATM 43 H5 UNL 1 3.939 -3.540 -2.079 1.00 0.00 H HETATM 44 H6 UNL 1 5.988 -4.414 -2.452 1.00 0.00 H HETATM 45 H7 UNL 1 6.900 -3.153 -1.640 1.00 0.00 H HETATM 46 H8 UNL 1 5.977 -2.756 -3.212 1.00 0.00 H HETATM 47 H9 UNL 1 5.869 -4.026 0.006 1.00 0.00 H HETATM 48 H10 UNL 1 4.829 -2.658 0.584 1.00 0.00 H HETATM 49 H11 UNL 1 4.102 -4.233 0.176 1.00 0.00 H HETATM 50 H12 UNL 1 7.442 -0.332 -2.262 1.00 0.00 H HETATM 51 H13 UNL 1 7.038 1.575 -2.094 1.00 0.00 H HETATM 52 H14 UNL 1 2.749 3.106 -0.832 1.00 0.00 H HETATM 53 H15 UNL 1 0.351 2.218 -0.129 1.00 0.00 H HETATM 54 H16 UNL 1 -0.194 0.030 -2.516 1.00 0.00 H HETATM 55 H17 UNL 1 -1.254 1.536 -2.757 1.00 0.00 H HETATM 56 H18 UNL 1 -1.910 -0.117 -2.931 1.00 0.00 H HETATM 57 H19 UNL 1 -3.605 1.182 -1.368 1.00 0.00 H HETATM 58 H20 UNL 1 -5.492 0.898 -0.875 1.00 0.00 H HETATM 59 H21 UNL 1 -7.492 2.006 -0.705 1.00 0.00 H HETATM 60 H22 UNL 1 -7.388 0.964 0.707 1.00 0.00 H HETATM 61 H23 UNL 1 -7.151 2.809 0.819 1.00 0.00 H HETATM 62 H24 UNL 1 -5.032 3.066 -1.738 1.00 0.00 H HETATM 63 H25 UNL 1 -4.021 3.262 -0.280 1.00 0.00 H HETATM 64 H26 UNL 1 -5.686 3.849 -0.242 1.00 0.00 H HETATM 65 H27 UNL 1 -6.720 1.689 3.498 1.00 0.00 H HETATM 66 H28 UNL 1 -5.451 1.148 4.946 1.00 0.00 H HETATM 67 H29 UNL 1 -0.947 -0.191 4.096 1.00 0.00 H HETATM 68 H30 UNL 1 0.752 -0.468 2.076 1.00 0.00 H CONECT 1 2 39 40 41 CONECT 2 3 3 19 CONECT 3 4 42 CONECT 4 5 5 16 CONECT 5 6 9 CONECT 6 7 8 43 CONECT 7 44 45 46 CONECT 8 47 48 49 CONECT 9 10 11 11 CONECT 10 50 CONECT 11 12 13 CONECT 12 51 CONECT 13 14 16 16 CONECT 14 15 15 52 CONECT 16 17 CONECT 17 18 19 19 CONECT 18 53 CONECT 19 20 CONECT 20 21 21 37 CONECT 21 22 23 CONECT 22 54 55 56 CONECT 23 24 24 57 CONECT 24 25 36 CONECT 25 26 29 29 CONECT 26 27 28 58 CONECT 27 59 60 61 CONECT 28 62 63 64 CONECT 29 30 31 CONECT 30 65 CONECT 31 32 33 33 CONECT 32 66 CONECT 33 34 36 CONECT 34 35 35 67 CONECT 36 37 37 CONECT 37 38 CONECT 38 68 END