COMPND HMDB0037370 HETATM 1 O1 UNL 1 2.314 -1.231 0.772 1.00 0.00 O HETATM 2 C1 UNL 1 1.822 -1.574 -0.299 1.00 0.00 C HETATM 3 O2 UNL 1 2.699 -1.659 -1.363 1.00 0.00 O HETATM 4 C2 UNL 1 4.021 -1.492 -1.521 1.00 0.00 C HETATM 5 C3 UNL 1 4.417 -0.020 -1.860 1.00 0.00 C HETATM 6 C4 UNL 1 4.113 0.900 -0.756 1.00 0.00 C HETATM 7 C5 UNL 1 2.988 1.640 -0.674 1.00 0.00 C HETATM 8 C6 UNL 1 2.748 2.464 0.414 1.00 0.00 C HETATM 9 C7 UNL 1 3.661 2.553 1.453 1.00 0.00 C HETATM 10 O3 UNL 1 3.413 3.384 2.517 1.00 0.00 O HETATM 11 C8 UNL 1 4.794 1.787 1.345 1.00 0.00 C HETATM 12 O4 UNL 1 5.725 1.869 2.398 1.00 0.00 O HETATM 13 C9 UNL 1 5.052 0.972 0.290 1.00 0.00 C HETATM 14 C10 UNL 1 4.660 -2.306 -2.520 1.00 0.00 C HETATM 15 O5 UNL 1 5.934 -2.233 -2.607 1.00 0.00 O HETATM 16 O6 UNL 1 3.953 -3.157 -3.387 1.00 0.00 O HETATM 17 C11 UNL 1 0.415 -1.882 -0.488 1.00 0.00 C HETATM 18 C12 UNL 1 0.006 -2.288 -1.678 1.00 0.00 C HETATM 19 C13 UNL 1 -1.425 -2.603 -1.869 1.00 0.00 C HETATM 20 C14 UNL 1 -1.824 -3.158 -3.080 1.00 0.00 C HETATM 21 C15 UNL 1 -3.064 -3.573 -3.263 1.00 0.00 C HETATM 22 C16 UNL 1 -4.049 -3.470 -2.237 1.00 0.00 C HETATM 23 O7 UNL 1 -5.299 -3.917 -2.475 1.00 0.00 O HETATM 24 C17 UNL 1 -3.697 -2.916 -1.008 1.00 0.00 C HETATM 25 O8 UNL 1 -4.520 -2.772 0.026 1.00 0.00 O HETATM 26 C18 UNL 1 -2.317 -2.481 -0.875 1.00 0.00 C HETATM 27 C19 UNL 1 -1.942 -1.763 0.380 1.00 0.00 C HETATM 28 C20 UNL 1 -2.527 -0.394 0.182 1.00 0.00 C HETATM 29 O9 UNL 1 -3.538 -0.236 -0.495 1.00 0.00 O HETATM 30 O10 UNL 1 -1.900 0.691 0.769 1.00 0.00 O HETATM 31 C21 UNL 1 -2.399 2.019 0.593 1.00 0.00 C HETATM 32 C22 UNL 1 -1.424 2.780 -0.311 1.00 0.00 C HETATM 33 C23 UNL 1 -1.901 4.142 -0.500 1.00 0.00 C HETATM 34 C24 UNL 1 -1.549 5.190 0.388 1.00 0.00 C HETATM 35 C25 UNL 1 -2.026 6.440 0.171 1.00 0.00 C HETATM 36 C26 UNL 1 -2.850 6.803 -0.876 1.00 0.00 C HETATM 37 O11 UNL 1 -3.302 8.090 -1.049 1.00 0.00 O HETATM 38 C27 UNL 1 -3.199 5.795 -1.750 1.00 0.00 C HETATM 39 O12 UNL 1 -4.027 6.080 -2.820 1.00 0.00 O HETATM 40 C28 UNL 1 -2.722 4.492 -1.547 1.00 0.00 C HETATM 41 C29 UNL 1 -2.511 2.671 1.898 1.00 0.00 C HETATM 42 O13 UNL 1 -3.151 3.775 1.991 1.00 0.00 O HETATM 43 O14 UNL 1 -1.965 2.184 3.075 1.00 0.00 O HETATM 44 C30 UNL 1 -0.497 -1.712 0.670 1.00 0.00 C HETATM 45 C31 UNL 1 -0.160 -2.708 1.719 1.00 0.00 C HETATM 46 C32 UNL 1 -0.446 -2.563 3.037 1.00 0.00 C HETATM 47 C33 UNL 1 -0.062 -3.523 4.005 1.00 0.00 C HETATM 48 C34 UNL 1 0.622 -4.644 3.599 1.00 0.00 C HETATM 49 O15 UNL 1 1.003 -5.617 4.542 1.00 0.00 O HETATM 50 C35 UNL 1 0.920 -4.800 2.266 1.00 0.00 C HETATM 51 O16 UNL 1 1.612 -5.924 1.849 1.00 0.00 O HETATM 52 C36 UNL 1 0.547 -3.866 1.339 1.00 0.00 C HETATM 53 H1 UNL 1 4.575 -1.575 -0.506 1.00 0.00 H HETATM 54 H2 UNL 1 3.878 0.273 -2.782 1.00 0.00 H HETATM 55 H3 UNL 1 5.493 0.021 -2.079 1.00 0.00 H HETATM 56 H4 UNL 1 2.202 1.645 -1.442 1.00 0.00 H HETATM 57 H5 UNL 1 1.864 3.077 0.506 1.00 0.00 H HETATM 58 H6 UNL 1 4.141 3.433 3.238 1.00 0.00 H HETATM 59 H7 UNL 1 6.564 1.289 2.361 1.00 0.00 H HETATM 60 H8 UNL 1 5.966 0.342 0.218 1.00 0.00 H HETATM 61 H9 UNL 1 3.042 -2.968 -3.746 1.00 0.00 H HETATM 62 H10 UNL 1 0.673 -2.381 -2.517 1.00 0.00 H HETATM 63 H11 UNL 1 -1.075 -3.239 -3.853 1.00 0.00 H HETATM 64 H12 UNL 1 -3.410 -4.020 -4.208 1.00 0.00 H HETATM 65 H13 UNL 1 -6.012 -3.863 -1.736 1.00 0.00 H HETATM 66 H14 UNL 1 -4.376 -2.404 0.912 1.00 0.00 H HETATM 67 H15 UNL 1 -2.454 -2.251 1.233 1.00 0.00 H HETATM 68 H16 UNL 1 -3.364 2.052 0.060 1.00 0.00 H HETATM 69 H17 UNL 1 -0.405 2.631 0.013 1.00 0.00 H HETATM 70 H18 UNL 1 -1.517 2.261 -1.315 1.00 0.00 H HETATM 71 H19 UNL 1 -0.891 4.916 1.192 1.00 0.00 H HETATM 72 H20 UNL 1 -1.761 7.256 0.869 1.00 0.00 H HETATM 73 H21 UNL 1 -3.068 8.881 -0.463 1.00 0.00 H HETATM 74 H22 UNL 1 -4.295 5.366 -3.509 1.00 0.00 H HETATM 75 H23 UNL 1 -3.008 3.722 -2.281 1.00 0.00 H HETATM 76 H24 UNL 1 -2.469 1.583 3.689 1.00 0.00 H HETATM 77 H25 UNL 1 -0.256 -0.700 1.137 1.00 0.00 H HETATM 78 H26 UNL 1 -0.978 -1.702 3.419 1.00 0.00 H HETATM 79 H27 UNL 1 -0.300 -3.387 5.049 1.00 0.00 H HETATM 80 H28 UNL 1 1.480 -6.461 4.278 1.00 0.00 H HETATM 81 H29 UNL 1 1.854 -6.065 0.860 1.00 0.00 H HETATM 82 H30 UNL 1 0.764 -3.970 0.298 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 17 CONECT 3 4 CONECT 4 5 14 53 CONECT 5 6 54 55 CONECT 6 7 7 13 CONECT 7 8 56 CONECT 8 9 9 57 CONECT 9 10 11 CONECT 10 58 CONECT 11 12 13 13 CONECT 12 59 CONECT 13 60 CONECT 14 15 15 16 CONECT 16 61 CONECT 17 18 18 44 CONECT 18 19 62 CONECT 19 20 20 26 CONECT 20 21 63 CONECT 21 22 22 64 CONECT 22 23 24 CONECT 23 65 CONECT 24 25 26 26 CONECT 25 66 CONECT 26 27 CONECT 27 28 44 67 CONECT 28 29 29 30 CONECT 30 31 CONECT 31 32 41 68 CONECT 32 33 69 70 CONECT 33 34 34 40 CONECT 34 35 71 CONECT 35 36 36 72 CONECT 36 37 38 CONECT 37 73 CONECT 38 39 40 40 CONECT 39 74 CONECT 40 75 CONECT 41 42 42 43 CONECT 43 76 CONECT 44 45 77 CONECT 45 46 46 52 CONECT 46 47 78 CONECT 47 48 48 79 CONECT 48 49 50 CONECT 49 80 CONECT 50 51 52 52 CONECT 51 81 CONECT 52 82 END