COMPND HMDB0241923 HETATM 1 C1 UNL 1 7.756 2.264 -0.580 1.00 0.00 C HETATM 2 C2 UNL 1 6.861 1.012 -0.447 1.00 0.00 C HETATM 3 C3 UNL 1 7.647 -0.210 -0.325 1.00 0.00 C HETATM 4 C4 UNL 1 6.971 -1.500 -0.283 1.00 0.00 C HETATM 5 C5 UNL 1 5.999 -1.985 0.655 1.00 0.00 C HETATM 6 C6 UNL 1 4.606 -1.590 0.839 1.00 0.00 C HETATM 7 C7 UNL 1 4.137 -0.253 1.168 1.00 0.00 C HETATM 8 C8 UNL 1 2.595 -0.232 1.426 1.00 0.00 C HETATM 9 C9 UNL 1 1.822 -0.667 0.246 1.00 0.00 C HETATM 10 C10 UNL 1 0.320 -0.647 0.591 1.00 0.00 C HETATM 11 C11 UNL 1 -0.087 0.729 0.955 1.00 0.00 C HETATM 12 C12 UNL 1 -1.495 1.003 1.304 1.00 0.00 C HETATM 13 C13 UNL 1 -2.588 0.903 0.320 1.00 0.00 C HETATM 14 C14 UNL 1 -2.790 -0.393 -0.345 1.00 0.00 C HETATM 15 C15 UNL 1 -4.021 -0.417 -1.252 1.00 0.00 C HETATM 16 C16 UNL 1 -5.291 -0.203 -0.555 1.00 0.00 C HETATM 17 O1 UNL 1 -5.338 -0.123 0.680 1.00 0.00 O HETATM 18 N1 UNL 1 -6.489 -0.084 -1.300 1.00 0.00 N HETATM 19 C17 UNL 1 -7.761 0.127 -0.658 1.00 0.00 C HETATM 20 C18 UNL 1 -8.413 1.420 -1.106 1.00 0.00 C HETATM 21 S1 UNL 1 -10.010 1.652 -0.279 1.00 0.00 S HETATM 22 C19 UNL 1 -8.729 -0.973 -0.931 1.00 0.00 C HETATM 23 O2 UNL 1 -8.450 -1.971 -1.647 1.00 0.00 O HETATM 24 O3 UNL 1 -9.981 -0.863 -0.357 1.00 0.00 O HETATM 25 H1 UNL 1 8.271 2.423 0.366 1.00 0.00 H HETATM 26 H2 UNL 1 7.060 3.092 -0.830 1.00 0.00 H HETATM 27 H3 UNL 1 8.406 2.095 -1.448 1.00 0.00 H HETATM 28 H4 UNL 1 6.054 1.012 -1.168 1.00 0.00 H HETATM 29 H5 UNL 1 6.391 1.199 0.580 1.00 0.00 H HETATM 30 H6 UNL 1 8.395 -0.250 -1.199 1.00 0.00 H HETATM 31 H7 UNL 1 8.300 -0.155 0.620 1.00 0.00 H HETATM 32 H8 UNL 1 7.814 -2.310 -0.319 1.00 0.00 H HETATM 33 H9 UNL 1 6.508 -1.723 -1.341 1.00 0.00 H HETATM 34 H10 UNL 1 5.937 -3.164 0.559 1.00 0.00 H HETATM 35 H11 UNL 1 6.472 -1.992 1.734 1.00 0.00 H HETATM 36 H12 UNL 1 4.102 -2.312 1.597 1.00 0.00 H HETATM 37 H13 UNL 1 4.044 -1.975 -0.119 1.00 0.00 H HETATM 38 H14 UNL 1 4.581 0.152 2.078 1.00 0.00 H HETATM 39 H15 UNL 1 4.273 0.456 0.283 1.00 0.00 H HETATM 40 H16 UNL 1 2.462 -0.838 2.336 1.00 0.00 H HETATM 41 H17 UNL 1 2.434 0.874 1.615 1.00 0.00 H HETATM 42 H18 UNL 1 1.989 0.108 -0.561 1.00 0.00 H HETATM 43 H19 UNL 1 2.099 -1.641 -0.172 1.00 0.00 H HETATM 44 H20 UNL 1 -0.212 -1.173 -0.183 1.00 0.00 H HETATM 45 H21 UNL 1 0.302 -1.261 1.562 1.00 0.00 H HETATM 46 H22 UNL 1 0.549 1.120 1.825 1.00 0.00 H HETATM 47 H23 UNL 1 0.217 1.389 0.084 1.00 0.00 H HETATM 48 H24 UNL 1 -1.726 0.343 2.228 1.00 0.00 H HETATM 49 H25 UNL 1 -1.544 2.038 1.819 1.00 0.00 H HETATM 50 H26 UNL 1 -3.546 1.197 0.862 1.00 0.00 H HETATM 51 H27 UNL 1 -2.396 1.736 -0.441 1.00 0.00 H HETATM 52 H28 UNL 1 -1.959 -0.492 -1.129 1.00 0.00 H HETATM 53 H29 UNL 1 -2.699 -1.249 0.310 1.00 0.00 H HETATM 54 H30 UNL 1 -4.049 -1.467 -1.662 1.00 0.00 H HETATM 55 H31 UNL 1 -3.873 0.235 -2.119 1.00 0.00 H HETATM 56 H32 UNL 1 -6.448 -0.151 -2.332 1.00 0.00 H HETATM 57 H33 UNL 1 -7.642 0.176 0.449 1.00 0.00 H HETATM 58 H34 UNL 1 -8.488 1.483 -2.206 1.00 0.00 H HETATM 59 H35 UNL 1 -7.761 2.280 -0.781 1.00 0.00 H HETATM 60 H36 UNL 1 -10.820 2.550 -0.995 1.00 0.00 H HETATM 61 H37 UNL 1 -10.769 -0.802 -0.996 1.00 0.00 H CONECT 1 2 25 26 27 CONECT 2 3 28 29 CONECT 3 4 30 31 CONECT 4 5 32 33 CONECT 5 6 34 35 CONECT 6 7 36 37 CONECT 7 8 38 39 CONECT 8 9 40 41 CONECT 9 10 42 43 CONECT 10 11 44 45 CONECT 11 12 46 47 CONECT 12 13 48 49 CONECT 13 14 50 51 CONECT 14 15 52 53 CONECT 15 16 54 55 CONECT 16 17 17 18 CONECT 18 19 56 CONECT 19 20 22 57 CONECT 20 21 58 59 CONECT 21 60 CONECT 22 23 23 24 CONECT 24 61 END