COMPND HMDB0251832 HETATM 1 C1 UNL 1 -3.458 2.051 2.801 1.00 0.00 C HETATM 2 N1 UNL 1 -3.913 1.539 1.530 1.00 0.00 N HETATM 3 C2 UNL 1 -3.160 1.405 0.434 1.00 0.00 C HETATM 4 C3 UNL 1 -3.956 0.883 -0.558 1.00 0.00 C HETATM 5 C4 UNL 1 -3.544 0.549 -1.934 1.00 0.00 C HETATM 6 C5 UNL 1 -2.462 -0.140 -2.243 1.00 0.00 C HETATM 7 C6 UNL 1 -1.435 -0.734 -1.404 1.00 0.00 C HETATM 8 C7 UNL 1 -0.051 -0.587 -1.573 1.00 0.00 C HETATM 9 N2 UNL 1 0.584 -1.291 -0.638 1.00 0.00 N HETATM 10 C8 UNL 1 2.024 -1.414 -0.460 1.00 0.00 C HETATM 11 C9 UNL 1 2.506 -0.907 0.836 1.00 0.00 C HETATM 12 C10 UNL 1 3.368 0.302 0.855 1.00 0.00 C HETATM 13 N3 UNL 1 3.947 0.660 -0.377 1.00 0.00 N HETATM 14 C11 UNL 1 5.060 1.481 -0.452 1.00 0.00 C HETATM 15 C12 UNL 1 6.306 1.027 0.195 1.00 0.00 C HETATM 16 C13 UNL 1 7.477 1.720 -0.005 1.00 0.00 C HETATM 17 C14 UNL 1 8.669 1.329 0.588 1.00 0.00 C HETATM 18 C15 UNL 1 8.664 0.212 1.398 1.00 0.00 C HETATM 19 C16 UNL 1 7.493 -0.464 1.585 1.00 0.00 C HETATM 20 N4 UNL 1 6.364 -0.047 0.991 1.00 0.00 N HETATM 21 C17 UNL 1 3.121 0.510 -1.524 1.00 0.00 C HETATM 22 C18 UNL 1 2.748 -0.933 -1.656 1.00 0.00 C HETATM 23 C19 UNL 1 -0.316 -1.913 0.163 1.00 0.00 C HETATM 24 C20 UNL 1 -0.122 -2.754 1.253 1.00 0.00 C HETATM 25 C21 UNL 1 -1.239 -3.259 1.874 1.00 0.00 C HETATM 26 C22 UNL 1 -2.501 -2.936 1.424 1.00 0.00 C HETATM 27 C23 UNL 1 -2.686 -2.090 0.328 1.00 0.00 C HETATM 28 C24 UNL 1 -1.573 -1.564 -0.319 1.00 0.00 C HETATM 29 C25 UNL 1 -2.442 -0.218 -3.730 1.00 0.00 C HETATM 30 O1 UNL 1 -1.579 -0.790 -4.455 1.00 0.00 O HETATM 31 N5 UNL 1 -3.560 0.460 -4.264 1.00 0.00 N HETATM 32 C26 UNL 1 -4.267 0.953 -3.109 1.00 0.00 C HETATM 33 O2 UNL 1 -5.342 1.627 -3.164 1.00 0.00 O HETATM 34 C27 UNL 1 -5.210 0.707 -0.025 1.00 0.00 C HETATM 35 C28 UNL 1 -6.417 0.226 -0.488 1.00 0.00 C HETATM 36 C29 UNL 1 -7.507 0.181 0.351 1.00 0.00 C HETATM 37 C30 UNL 1 -7.481 0.595 1.663 1.00 0.00 C HETATM 38 C31 UNL 1 -6.282 1.076 2.137 1.00 0.00 C HETATM 39 C32 UNL 1 -5.170 1.121 1.283 1.00 0.00 C HETATM 40 H1 UNL 1 -2.528 1.465 3.047 1.00 0.00 H HETATM 41 H2 UNL 1 -3.184 3.118 2.789 1.00 0.00 H HETATM 42 H3 UNL 1 -4.236 1.935 3.570 1.00 0.00 H HETATM 43 H4 UNL 1 -2.095 1.657 0.315 1.00 0.00 H HETATM 44 H5 UNL 1 0.348 0.027 -2.377 1.00 0.00 H HETATM 45 H6 UNL 1 2.171 -2.553 -0.443 1.00 0.00 H HETATM 46 H7 UNL 1 3.062 -1.741 1.370 1.00 0.00 H HETATM 47 H8 UNL 1 1.663 -0.694 1.553 1.00 0.00 H HETATM 48 H9 UNL 1 4.124 0.191 1.656 1.00 0.00 H HETATM 49 H10 UNL 1 2.760 1.199 1.195 1.00 0.00 H HETATM 50 H11 UNL 1 5.237 1.734 -1.538 1.00 0.00 H HETATM 51 H12 UNL 1 4.793 2.489 -0.006 1.00 0.00 H HETATM 52 H13 UNL 1 7.539 2.604 -0.631 1.00 0.00 H HETATM 53 H14 UNL 1 9.588 1.905 0.405 1.00 0.00 H HETATM 54 H15 UNL 1 9.584 -0.109 1.869 1.00 0.00 H HETATM 55 H16 UNL 1 7.451 -1.348 2.217 1.00 0.00 H HETATM 56 H17 UNL 1 2.199 1.097 -1.350 1.00 0.00 H HETATM 57 H18 UNL 1 3.669 0.901 -2.403 1.00 0.00 H HETATM 58 H19 UNL 1 3.696 -1.492 -1.833 1.00 0.00 H HETATM 59 H20 UNL 1 2.138 -1.125 -2.576 1.00 0.00 H HETATM 60 H21 UNL 1 0.883 -2.993 1.589 1.00 0.00 H HETATM 61 H22 UNL 1 -1.111 -3.919 2.728 1.00 0.00 H HETATM 62 H23 UNL 1 -3.385 -3.321 1.896 1.00 0.00 H HETATM 63 H24 UNL 1 -3.649 -1.842 -0.040 1.00 0.00 H HETATM 64 H25 UNL 1 -3.886 0.621 -5.229 1.00 0.00 H HETATM 65 H26 UNL 1 -6.469 -0.119 -1.509 1.00 0.00 H HETATM 66 H27 UNL 1 -8.440 -0.210 -0.066 1.00 0.00 H HETATM 67 H28 UNL 1 -8.372 0.537 2.281 1.00 0.00 H HETATM 68 H29 UNL 1 -6.207 1.415 3.161 1.00 0.00 H CONECT 1 2 40 41 42 CONECT 2 3 39 CONECT 3 4 4 43 CONECT 4 5 34 CONECT 5 6 6 32 CONECT 6 7 29 CONECT 7 8 8 28 CONECT 8 9 44 CONECT 9 10 23 CONECT 10 11 22 45 CONECT 11 12 46 47 CONECT 12 13 48 49 CONECT 13 14 21 CONECT 14 15 50 51 CONECT 15 16 16 20 CONECT 16 17 52 CONECT 17 18 18 53 CONECT 18 19 54 CONECT 19 20 20 55 CONECT 21 22 56 57 CONECT 22 58 59 CONECT 23 24 24 28 CONECT 24 25 60 CONECT 25 26 26 61 CONECT 26 27 62 CONECT 27 28 28 63 CONECT 29 30 30 31 CONECT 31 32 64 CONECT 32 33 33 CONECT 34 35 35 39 CONECT 35 36 65 CONECT 36 37 37 66 CONECT 37 38 67 CONECT 38 39 39 68 END