COMPND HMDB0248778 HETATM 1 C1 UNL 1 -4.544 -4.293 0.443 1.00 0.00 C HETATM 2 C2 UNL 1 -3.287 -4.154 0.732 1.00 0.00 C HETATM 3 C3 UNL 1 -2.549 -2.935 0.391 1.00 0.00 C HETATM 4 O1 UNL 1 -1.320 -2.991 0.756 1.00 0.00 O HETATM 5 N1 UNL 1 -3.141 -1.843 -0.260 1.00 0.00 N HETATM 6 C4 UNL 1 -2.514 -0.658 -0.624 1.00 0.00 C HETATM 7 C5 UNL 1 -1.145 -0.513 -0.490 1.00 0.00 C HETATM 8 C6 UNL 1 -0.465 0.627 -0.859 1.00 0.00 C HETATM 9 N2 UNL 1 0.921 0.840 -0.753 1.00 0.00 N HETATM 10 C7 UNL 1 1.889 -0.076 -0.252 1.00 0.00 C HETATM 11 N3 UNL 1 1.631 -1.303 0.206 1.00 0.00 N HETATM 12 C8 UNL 1 2.549 -2.143 0.664 1.00 0.00 C HETATM 13 C9 UNL 1 3.900 -1.746 0.685 1.00 0.00 C HETATM 14 C10 UNL 1 4.194 -0.507 0.226 1.00 0.00 C HETATM 15 C11 UNL 1 5.538 0.050 0.241 1.00 0.00 C HETATM 16 C12 UNL 1 5.814 1.433 0.242 1.00 0.00 C HETATM 17 N4 UNL 1 7.127 1.596 0.218 1.00 0.00 N HETATM 18 C13 UNL 1 7.887 2.859 0.209 1.00 0.00 C HETATM 19 C14 UNL 1 7.757 0.399 0.199 1.00 0.00 C HETATM 20 C15 UNL 1 9.095 0.078 0.158 1.00 0.00 C HETATM 21 C16 UNL 1 9.472 -1.237 0.124 1.00 0.00 C HETATM 22 C17 UNL 1 8.516 -2.214 0.133 1.00 0.00 C HETATM 23 C18 UNL 1 7.176 -1.875 0.175 1.00 0.00 C HETATM 24 C19 UNL 1 6.759 -0.556 0.212 1.00 0.00 C HETATM 25 N5 UNL 1 3.186 0.291 -0.228 1.00 0.00 N HETATM 26 C20 UNL 1 -1.229 1.665 -1.390 1.00 0.00 C HETATM 27 O2 UNL 1 -0.647 2.854 -1.794 1.00 0.00 O HETATM 28 C21 UNL 1 -1.427 3.905 -2.333 1.00 0.00 C HETATM 29 C22 UNL 1 -2.583 1.526 -1.525 1.00 0.00 C HETATM 30 C23 UNL 1 -3.281 0.362 -1.149 1.00 0.00 C HETATM 31 N6 UNL 1 -4.679 0.353 -1.327 1.00 0.00 N HETATM 32 C24 UNL 1 -5.381 -0.643 -2.082 1.00 0.00 C HETATM 33 C25 UNL 1 -5.424 1.448 -0.779 1.00 0.00 C HETATM 34 C26 UNL 1 -6.387 1.226 0.302 1.00 0.00 C HETATM 35 N7 UNL 1 -5.982 0.736 1.551 1.00 0.00 N HETATM 36 C27 UNL 1 -5.548 -0.601 1.681 1.00 0.00 C HETATM 37 C28 UNL 1 -5.371 1.683 2.442 1.00 0.00 C HETATM 38 H1 UNL 1 -5.133 -3.553 -0.055 1.00 0.00 H HETATM 39 H2 UNL 1 -5.105 -5.211 0.699 1.00 0.00 H HETATM 40 H3 UNL 1 -2.783 -4.957 1.237 1.00 0.00 H HETATM 41 H4 UNL 1 -4.151 -1.947 -0.489 1.00 0.00 H HETATM 42 H5 UNL 1 -0.545 -1.294 -0.094 1.00 0.00 H HETATM 43 H6 UNL 1 1.290 1.793 -1.085 1.00 0.00 H HETATM 44 H7 UNL 1 2.343 -3.129 1.032 1.00 0.00 H HETATM 45 H8 UNL 1 4.605 -2.444 1.097 1.00 0.00 H HETATM 46 H9 UNL 1 5.049 2.195 0.259 1.00 0.00 H HETATM 47 H10 UNL 1 8.213 3.092 -0.830 1.00 0.00 H HETATM 48 H11 UNL 1 8.813 2.748 0.813 1.00 0.00 H HETATM 49 H12 UNL 1 7.263 3.642 0.661 1.00 0.00 H HETATM 50 H13 UNL 1 9.875 0.842 0.149 1.00 0.00 H HETATM 51 H14 UNL 1 10.521 -1.552 0.090 1.00 0.00 H HETATM 52 H15 UNL 1 8.820 -3.248 0.106 1.00 0.00 H HETATM 53 H16 UNL 1 6.448 -2.666 0.151 1.00 0.00 H HETATM 54 H17 UNL 1 -2.217 4.134 -1.577 1.00 0.00 H HETATM 55 H18 UNL 1 -1.969 3.451 -3.208 1.00 0.00 H HETATM 56 H19 UNL 1 -0.834 4.781 -2.601 1.00 0.00 H HETATM 57 H20 UNL 1 -3.180 2.351 -1.946 1.00 0.00 H HETATM 58 H21 UNL 1 -4.639 -1.220 -2.675 1.00 0.00 H HETATM 59 H22 UNL 1 -6.123 -1.230 -1.544 1.00 0.00 H HETATM 60 H23 UNL 1 -5.995 -0.141 -2.908 1.00 0.00 H HETATM 61 H24 UNL 1 -4.751 2.296 -0.473 1.00 0.00 H HETATM 62 H25 UNL 1 -6.002 1.911 -1.640 1.00 0.00 H HETATM 63 H26 UNL 1 -7.291 0.628 -0.014 1.00 0.00 H HETATM 64 H27 UNL 1 -6.862 2.248 0.496 1.00 0.00 H HETATM 65 H28 UNL 1 -4.468 -0.626 1.794 1.00 0.00 H HETATM 66 H29 UNL 1 -6.020 -1.104 2.579 1.00 0.00 H HETATM 67 H30 UNL 1 -5.918 -1.192 0.822 1.00 0.00 H HETATM 68 H31 UNL 1 -4.926 2.504 1.883 1.00 0.00 H HETATM 69 H32 UNL 1 -6.174 2.116 3.103 1.00 0.00 H HETATM 70 H33 UNL 1 -4.658 1.141 3.110 1.00 0.00 H CONECT 1 2 2 38 39 CONECT 2 3 40 CONECT 3 4 4 5 CONECT 5 6 41 CONECT 6 7 7 30 CONECT 7 8 42 CONECT 8 9 26 26 CONECT 9 10 43 CONECT 10 11 11 25 CONECT 11 12 CONECT 12 13 13 44 CONECT 13 14 45 CONECT 14 15 25 25 CONECT 15 16 16 24 CONECT 16 17 46 CONECT 17 18 19 CONECT 18 47 48 49 CONECT 19 20 20 24 CONECT 20 21 50 CONECT 21 22 22 51 CONECT 22 23 52 CONECT 23 24 24 53 CONECT 26 27 29 CONECT 27 28 CONECT 28 54 55 56 CONECT 29 30 30 57 CONECT 30 31 CONECT 31 32 33 CONECT 32 58 59 60 CONECT 33 34 61 62 CONECT 34 35 63 64 CONECT 35 36 37 CONECT 36 65 66 67 CONECT 37 68 69 70 END