COMPND HMDB0001142 HETATM 1 C1 UNL 1 -4.534 3.195 -0.040 1.00 0.00 C HETATM 2 C2 UNL 1 -3.654 2.001 -0.138 1.00 0.00 C HETATM 3 C3 UNL 1 -4.049 0.759 0.230 1.00 0.00 C HETATM 4 C4 UNL 1 -3.178 -0.308 0.113 1.00 0.00 C HETATM 5 C5 UNL 1 -1.875 -0.183 -0.374 1.00 0.00 C HETATM 6 C6 UNL 1 -1.508 1.098 -0.741 1.00 0.00 C HETATM 7 C7 UNL 1 -2.383 2.162 -0.622 1.00 0.00 C HETATM 8 C8 UNL 1 -1.900 3.509 -1.041 1.00 0.00 C HETATM 9 N1 UNL 1 -0.979 -1.267 -0.521 1.00 0.00 N HETATM 10 C9 UNL 1 0.375 -1.134 -0.932 1.00 0.00 C HETATM 11 C10 UNL 1 1.397 -0.871 0.106 1.00 0.00 C HETATM 12 O1 UNL 1 1.368 -1.880 1.108 1.00 0.00 O HETATM 13 C11 UNL 1 1.514 0.417 0.783 1.00 0.00 C HETATM 14 O2 UNL 1 1.689 1.518 -0.047 1.00 0.00 O HETATM 15 C12 UNL 1 2.745 0.484 1.711 1.00 0.00 C HETATM 16 O3 UNL 1 2.656 1.719 2.372 1.00 0.00 O HETATM 17 C13 UNL 1 4.000 0.523 0.884 1.00 0.00 C HETATM 18 O4 UNL 1 3.973 1.556 -0.052 1.00 0.00 O HETATM 19 P1 UNL 1 5.398 1.571 -0.963 1.00 0.00 P HETATM 20 O5 UNL 1 6.539 1.261 -0.034 1.00 0.00 O HETATM 21 O6 UNL 1 5.317 0.451 -2.241 1.00 0.00 O HETATM 22 O7 UNL 1 5.553 3.106 -1.662 1.00 0.00 O HETATM 23 C14 UNL 1 -1.495 -2.571 -0.132 1.00 0.00 C HETATM 24 N2 UNL 1 -0.735 -3.663 -0.238 1.00 0.00 N HETATM 25 C15 UNL 1 -1.218 -4.893 0.122 1.00 0.00 C HETATM 26 O8 UNL 1 -0.475 -5.894 0.009 1.00 0.00 O HETATM 27 N3 UNL 1 -2.451 -5.055 0.589 1.00 0.00 N HETATM 28 C16 UNL 1 -3.221 -3.956 0.697 1.00 0.00 C HETATM 29 O9 UNL 1 -4.384 -4.085 1.134 1.00 0.00 O HETATM 30 C17 UNL 1 -2.774 -2.710 0.347 1.00 0.00 C HETATM 31 N4 UNL 1 -3.638 -1.612 0.484 1.00 0.00 N HETATM 32 H1 UNL 1 -5.608 2.862 0.059 1.00 0.00 H HETATM 33 H2 UNL 1 -4.493 3.813 -0.957 1.00 0.00 H HETATM 34 H3 UNL 1 -4.322 3.804 0.844 1.00 0.00 H HETATM 35 H4 UNL 1 -5.041 0.593 0.615 1.00 0.00 H HETATM 36 H5 UNL 1 -0.537 1.210 -1.145 1.00 0.00 H HETATM 37 H6 UNL 1 -2.283 3.794 -2.040 1.00 0.00 H HETATM 38 H7 UNL 1 -0.791 3.532 -1.000 1.00 0.00 H HETATM 39 H8 UNL 1 -2.233 4.290 -0.302 1.00 0.00 H HETATM 40 H9 UNL 1 0.509 -0.324 -1.722 1.00 0.00 H HETATM 41 H10 UNL 1 0.754 -2.009 -1.551 1.00 0.00 H HETATM 42 H11 UNL 1 2.410 -1.076 -0.378 1.00 0.00 H HETATM 43 H12 UNL 1 0.616 -1.733 1.725 1.00 0.00 H HETATM 44 H13 UNL 1 0.636 0.645 1.462 1.00 0.00 H HETATM 45 H14 UNL 1 1.855 1.221 -0.977 1.00 0.00 H HETATM 46 H15 UNL 1 2.732 -0.295 2.466 1.00 0.00 H HETATM 47 H16 UNL 1 3.554 2.041 2.659 1.00 0.00 H HETATM 48 H17 UNL 1 4.201 -0.411 0.331 1.00 0.00 H HETATM 49 H18 UNL 1 4.856 0.740 1.556 1.00 0.00 H HETATM 50 H19 UNL 1 6.028 -0.248 -2.146 1.00 0.00 H HETATM 51 H20 UNL 1 6.322 3.606 -1.245 1.00 0.00 H HETATM 52 H21 UNL 1 0.216 -3.611 -0.593 1.00 0.00 H HETATM 53 H22 UNL 1 -2.830 -5.997 0.869 1.00 0.00 H HETATM 54 H23 UNL 1 -4.625 -1.693 0.851 1.00 0.00 H CONECT 1 2 32 33 34 CONECT 2 3 3 7 CONECT 3 4 35 CONECT 4 5 5 31 CONECT 5 6 9 CONECT 6 7 7 36 CONECT 7 8 CONECT 8 37 38 39 CONECT 9 10 23 CONECT 10 11 40 41 CONECT 11 12 13 42 CONECT 12 43 CONECT 13 14 15 44 CONECT 14 45 CONECT 15 16 17 46 CONECT 16 47 CONECT 17 18 48 49 CONECT 18 19 CONECT 19 20 20 21 22 CONECT 21 50 CONECT 22 51 CONECT 23 24 30 30 CONECT 24 25 52 CONECT 25 26 26 27 CONECT 27 28 53 CONECT 28 29 29 30 CONECT 30 31 CONECT 31 54 END