COMPND HMDB0004999 HETATM 1 C1 UNL 1 -2.478 1.801 -2.195 1.00 0.00 C HETATM 2 N1 UNL 1 -2.830 2.185 -0.864 1.00 0.00 N HETATM 3 C2 UNL 1 -3.245 3.594 -0.700 1.00 0.00 C HETATM 4 C3 UNL 1 -2.817 1.373 0.267 1.00 0.00 C HETATM 5 O1 UNL 1 -3.198 1.933 1.368 1.00 0.00 O HETATM 6 C4 UNL 1 -2.414 -0.072 0.338 1.00 0.00 C HETATM 7 C5 UNL 1 -0.966 -0.300 0.513 1.00 0.00 C HETATM 8 C6 UNL 1 -0.040 0.199 -0.522 1.00 0.00 C HETATM 9 N2 UNL 1 1.343 -0.099 -0.158 1.00 0.00 N HETATM 10 C7 UNL 1 2.204 0.342 -1.275 1.00 0.00 C HETATM 11 C8 UNL 1 3.473 -0.463 -1.140 1.00 0.00 C HETATM 12 C9 UNL 1 3.890 -0.342 0.326 1.00 0.00 C HETATM 13 O2 UNL 1 3.474 -1.458 1.019 1.00 0.00 O HETATM 14 C10 UNL 1 5.345 -0.147 0.377 1.00 0.00 C HETATM 15 C11 UNL 1 6.110 -1.027 1.108 1.00 0.00 C HETATM 16 C12 UNL 1 7.471 -0.820 1.138 1.00 0.00 C HETATM 17 C13 UNL 1 8.063 0.221 0.468 1.00 0.00 C HETATM 18 CL1 UNL 1 9.803 0.508 0.491 1.00 0.00 CL HETATM 19 C14 UNL 1 7.266 1.106 -0.270 1.00 0.00 C HETATM 20 C15 UNL 1 5.902 0.910 -0.307 1.00 0.00 C HETATM 21 C16 UNL 1 3.233 0.899 0.940 1.00 0.00 C HETATM 22 C17 UNL 1 1.749 0.662 1.008 1.00 0.00 C HETATM 23 C18 UNL 1 -3.080 -0.812 -0.753 1.00 0.00 C HETATM 24 C19 UNL 1 -4.351 -0.355 -1.133 1.00 0.00 C HETATM 25 C20 UNL 1 -5.017 -1.005 -2.156 1.00 0.00 C HETATM 26 C21 UNL 1 -4.433 -2.081 -2.785 1.00 0.00 C HETATM 27 C22 UNL 1 -3.176 -2.509 -2.387 1.00 0.00 C HETATM 28 C23 UNL 1 -2.486 -1.885 -1.372 1.00 0.00 C HETATM 29 C24 UNL 1 -3.068 -0.590 1.615 1.00 0.00 C HETATM 30 C25 UNL 1 -4.051 -1.555 1.590 1.00 0.00 C HETATM 31 C26 UNL 1 -4.664 -2.040 2.723 1.00 0.00 C HETATM 32 C27 UNL 1 -4.298 -1.559 3.940 1.00 0.00 C HETATM 33 C28 UNL 1 -3.318 -0.596 3.999 1.00 0.00 C HETATM 34 C29 UNL 1 -2.700 -0.106 2.849 1.00 0.00 C HETATM 35 H1 UNL 1 -3.425 1.934 -2.805 1.00 0.00 H HETATM 36 H2 UNL 1 -2.087 0.800 -2.310 1.00 0.00 H HETATM 37 H3 UNL 1 -1.693 2.489 -2.615 1.00 0.00 H HETATM 38 H4 UNL 1 -2.690 4.173 -1.454 1.00 0.00 H HETATM 39 H5 UNL 1 -2.935 3.906 0.315 1.00 0.00 H HETATM 40 H6 UNL 1 -4.340 3.595 -0.825 1.00 0.00 H HETATM 41 H7 UNL 1 -0.818 -1.423 0.568 1.00 0.00 H HETATM 42 H8 UNL 1 -0.700 0.043 1.548 1.00 0.00 H HETATM 43 H9 UNL 1 -0.199 -0.334 -1.477 1.00 0.00 H HETATM 44 H10 UNL 1 -0.067 1.275 -0.721 1.00 0.00 H HETATM 45 H11 UNL 1 1.660 0.094 -2.216 1.00 0.00 H HETATM 46 H12 UNL 1 2.417 1.420 -1.228 1.00 0.00 H HETATM 47 H13 UNL 1 4.289 -0.105 -1.803 1.00 0.00 H HETATM 48 H14 UNL 1 3.225 -1.521 -1.324 1.00 0.00 H HETATM 49 H15 UNL 1 3.479 -2.236 0.408 1.00 0.00 H HETATM 50 H16 UNL 1 5.669 -1.868 1.653 1.00 0.00 H HETATM 51 H17 UNL 1 8.110 -1.483 1.697 1.00 0.00 H HETATM 52 H18 UNL 1 7.694 1.936 -0.808 1.00 0.00 H HETATM 53 H19 UNL 1 5.289 1.593 -0.877 1.00 0.00 H HETATM 54 H20 UNL 1 3.523 1.818 0.403 1.00 0.00 H HETATM 55 H21 UNL 1 3.677 0.945 1.983 1.00 0.00 H HETATM 56 H22 UNL 1 1.248 1.649 1.068 1.00 0.00 H HETATM 57 H23 UNL 1 1.571 0.102 1.961 1.00 0.00 H HETATM 58 H24 UNL 1 -4.795 0.494 -0.627 1.00 0.00 H HETATM 59 H25 UNL 1 -5.991 -0.643 -2.437 1.00 0.00 H HETATM 60 H26 UNL 1 -4.942 -2.601 -3.590 1.00 0.00 H HETATM 61 H27 UNL 1 -2.729 -3.363 -2.899 1.00 0.00 H HETATM 62 H28 UNL 1 -1.516 -2.275 -1.118 1.00 0.00 H HETATM 63 H29 UNL 1 -4.384 -1.979 0.660 1.00 0.00 H HETATM 64 H30 UNL 1 -5.427 -2.790 2.643 1.00 0.00 H HETATM 65 H31 UNL 1 -4.788 -1.947 4.837 1.00 0.00 H HETATM 66 H32 UNL 1 -3.063 -0.248 4.995 1.00 0.00 H HETATM 67 H33 UNL 1 -1.956 0.638 2.987 1.00 0.00 H CONECT 1 2 35 36 37 CONECT 2 3 4 CONECT 3 38 39 40 CONECT 4 5 5 6 CONECT 6 7 23 29 CONECT 7 8 41 42 CONECT 8 9 43 44 CONECT 9 10 22 CONECT 10 11 45 46 CONECT 11 12 47 48 CONECT 12 13 14 21 CONECT 13 49 CONECT 14 15 15 20 CONECT 15 16 50 CONECT 16 17 17 51 CONECT 17 18 19 CONECT 19 20 20 52 CONECT 20 53 CONECT 21 22 54 55 CONECT 22 56 57 CONECT 23 24 24 28 CONECT 24 25 58 CONECT 25 26 26 59 CONECT 26 27 60 CONECT 27 28 28 61 CONECT 28 62 CONECT 29 30 30 34 CONECT 30 31 63 CONECT 31 32 32 64 CONECT 32 33 65 CONECT 33 34 34 66 CONECT 34 67 END