COMPND HMDB0038337 HETATM 1 C1 UNL 1 11.828 -0.452 1.638 1.00 0.00 C HETATM 2 C2 UNL 1 10.529 0.005 0.892 1.00 0.00 C HETATM 3 C3 UNL 1 10.871 0.313 -0.509 1.00 0.00 C HETATM 4 C4 UNL 1 9.910 0.856 -1.454 1.00 0.00 C HETATM 5 C5 UNL 1 8.660 0.182 -1.838 1.00 0.00 C HETATM 6 C6 UNL 1 7.679 0.024 -0.742 1.00 0.00 C HETATM 7 C7 UNL 1 6.384 -0.650 -1.253 1.00 0.00 C HETATM 8 C8 UNL 1 5.498 -0.746 -0.064 1.00 0.00 C HETATM 9 O1 UNL 1 5.674 -1.716 0.718 1.00 0.00 O HETATM 10 O2 UNL 1 4.518 0.213 0.157 1.00 0.00 O HETATM 11 C9 UNL 1 3.711 0.047 1.319 1.00 0.00 C HETATM 12 C10 UNL 1 2.693 1.118 1.483 1.00 0.00 C HETATM 13 C11 UNL 1 1.690 1.326 0.459 1.00 0.00 C HETATM 14 C12 UNL 1 0.717 0.404 -0.036 1.00 0.00 C HETATM 15 C13 UNL 1 1.031 -0.872 -0.662 1.00 0.00 C HETATM 16 C14 UNL 1 1.703 -0.901 -1.808 1.00 0.00 C HETATM 17 C15 UNL 1 2.166 0.329 -2.515 1.00 0.00 C HETATM 18 C16 UNL 1 2.027 -2.236 -2.438 1.00 0.00 C HETATM 19 C17 UNL 1 0.607 -2.209 -0.106 1.00 0.00 C HETATM 20 C18 UNL 1 -0.872 -2.223 0.290 1.00 0.00 C HETATM 21 C19 UNL 1 -1.358 -0.825 0.023 1.00 0.00 C HETATM 22 C20 UNL 1 -0.544 0.189 0.845 1.00 0.00 C HETATM 23 C21 UNL 1 -0.006 -0.349 2.120 1.00 0.00 C HETATM 24 C22 UNL 1 -1.265 1.480 0.975 1.00 0.00 C HETATM 25 C23 UNL 1 -2.716 1.447 1.297 1.00 0.00 C HETATM 26 C24 UNL 1 -3.430 0.175 1.128 1.00 0.00 C HETATM 27 C25 UNL 1 -3.339 -0.592 2.437 1.00 0.00 C HETATM 28 C26 UNL 1 -4.888 0.193 0.760 1.00 0.00 C HETATM 29 C27 UNL 1 -5.573 1.465 0.757 1.00 0.00 C HETATM 30 C28 UNL 1 -5.486 2.058 2.195 1.00 0.00 C HETATM 31 C29 UNL 1 -7.035 1.404 0.482 1.00 0.00 C HETATM 32 C30 UNL 1 -7.532 0.881 -0.804 1.00 0.00 C HETATM 33 C31 UNL 1 -9.044 0.984 -0.848 1.00 0.00 C HETATM 34 C32 UNL 1 -9.755 -0.105 -0.995 1.00 0.00 C HETATM 35 C33 UNL 1 -9.119 -1.466 -1.123 1.00 0.00 C HETATM 36 C34 UNL 1 -11.241 -0.022 -1.041 1.00 0.00 C HETATM 37 C35 UNL 1 -5.029 -0.804 -0.341 1.00 0.00 C HETATM 38 C36 UNL 1 -3.735 -1.672 -0.188 1.00 0.00 C HETATM 39 C37 UNL 1 -2.785 -0.538 -0.025 1.00 0.00 C HETATM 40 C38 UNL 1 -3.046 0.306 -1.285 1.00 0.00 C HETATM 41 H1 UNL 1 11.533 -0.479 2.701 1.00 0.00 H HETATM 42 H2 UNL 1 12.182 -1.399 1.231 1.00 0.00 H HETATM 43 H3 UNL 1 12.516 0.402 1.504 1.00 0.00 H HETATM 44 H4 UNL 1 9.941 -0.967 0.935 1.00 0.00 H HETATM 45 H5 UNL 1 10.101 0.785 1.501 1.00 0.00 H HETATM 46 H6 UNL 1 11.359 -0.603 -0.975 1.00 0.00 H HETATM 47 H7 UNL 1 11.737 1.074 -0.455 1.00 0.00 H HETATM 48 H8 UNL 1 10.472 1.049 -2.436 1.00 0.00 H HETATM 49 H9 UNL 1 9.685 1.960 -1.157 1.00 0.00 H HETATM 50 H10 UNL 1 8.839 -0.817 -2.335 1.00 0.00 H HETATM 51 H11 UNL 1 8.112 0.755 -2.660 1.00 0.00 H HETATM 52 H12 UNL 1 7.314 1.005 -0.335 1.00 0.00 H HETATM 53 H13 UNL 1 8.050 -0.609 0.062 1.00 0.00 H HETATM 54 H14 UNL 1 6.589 -1.649 -1.648 1.00 0.00 H HETATM 55 H15 UNL 1 5.896 -0.053 -2.021 1.00 0.00 H HETATM 56 H16 UNL 1 4.439 0.182 2.171 1.00 0.00 H HETATM 57 H17 UNL 1 3.337 -0.979 1.432 1.00 0.00 H HETATM 58 H18 UNL 1 3.349 2.067 1.512 1.00 0.00 H HETATM 59 H19 UNL 1 2.329 1.122 2.528 1.00 0.00 H HETATM 60 H20 UNL 1 1.070 2.215 0.868 1.00 0.00 H HETATM 61 H21 UNL 1 2.199 1.867 -0.398 1.00 0.00 H HETATM 62 H22 UNL 1 0.173 0.967 -0.889 1.00 0.00 H HETATM 63 H23 UNL 1 1.422 1.148 -2.484 1.00 0.00 H HETATM 64 H24 UNL 1 3.140 0.697 -2.200 1.00 0.00 H HETATM 65 H25 UNL 1 2.274 0.055 -3.594 1.00 0.00 H HETATM 66 H26 UNL 1 1.088 -2.625 -2.839 1.00 0.00 H HETATM 67 H27 UNL 1 2.682 -2.030 -3.299 1.00 0.00 H HETATM 68 H28 UNL 1 2.525 -2.885 -1.681 1.00 0.00 H HETATM 69 H29 UNL 1 0.673 -3.008 -0.902 1.00 0.00 H HETATM 70 H30 UNL 1 1.275 -2.588 0.680 1.00 0.00 H HETATM 71 H31 UNL 1 -0.962 -2.601 1.295 1.00 0.00 H HETATM 72 H32 UNL 1 -1.475 -2.891 -0.363 1.00 0.00 H HETATM 73 H33 UNL 1 -0.995 -0.732 -1.060 1.00 0.00 H HETATM 74 H34 UNL 1 -0.556 -1.129 2.632 1.00 0.00 H HETATM 75 H35 UNL 1 0.035 0.518 2.847 1.00 0.00 H HETATM 76 H36 UNL 1 1.031 -0.728 2.070 1.00 0.00 H HETATM 77 H37 UNL 1 -0.742 2.047 1.805 1.00 0.00 H HETATM 78 H38 UNL 1 -1.037 2.120 0.078 1.00 0.00 H HETATM 79 H39 UNL 1 -2.870 1.769 2.377 1.00 0.00 H HETATM 80 H40 UNL 1 -3.181 2.303 0.720 1.00 0.00 H HETATM 81 H41 UNL 1 -2.850 -1.581 2.331 1.00 0.00 H HETATM 82 H42 UNL 1 -4.358 -0.892 2.817 1.00 0.00 H HETATM 83 H43 UNL 1 -2.933 0.023 3.267 1.00 0.00 H HETATM 84 H44 UNL 1 -5.463 -0.356 1.607 1.00 0.00 H HETATM 85 H45 UNL 1 -5.128 2.302 0.172 1.00 0.00 H HETATM 86 H46 UNL 1 -6.518 2.380 2.537 1.00 0.00 H HETATM 87 H47 UNL 1 -4.892 2.975 2.233 1.00 0.00 H HETATM 88 H48 UNL 1 -5.127 1.336 2.917 1.00 0.00 H HETATM 89 H49 UNL 1 -7.518 2.430 0.621 1.00 0.00 H HETATM 90 H50 UNL 1 -7.574 0.820 1.312 1.00 0.00 H HETATM 91 H51 UNL 1 -7.136 1.507 -1.643 1.00 0.00 H HETATM 92 H52 UNL 1 -7.342 -0.180 -1.009 1.00 0.00 H HETATM 93 H53 UNL 1 -9.521 1.939 -0.760 1.00 0.00 H HETATM 94 H54 UNL 1 -9.888 -2.253 -1.136 1.00 0.00 H HETATM 95 H55 UNL 1 -8.485 -1.675 -0.222 1.00 0.00 H HETATM 96 H56 UNL 1 -8.540 -1.547 -2.061 1.00 0.00 H HETATM 97 H57 UNL 1 -11.638 0.823 -0.443 1.00 0.00 H HETATM 98 H58 UNL 1 -11.579 0.133 -2.091 1.00 0.00 H HETATM 99 H59 UNL 1 -11.673 -0.949 -0.635 1.00 0.00 H HETATM 100 H60 UNL 1 -5.099 -0.432 -1.353 1.00 0.00 H HETATM 101 H61 UNL 1 -5.818 -1.580 -0.196 1.00 0.00 H HETATM 102 H62 UNL 1 -3.879 -2.243 0.724 1.00 0.00 H HETATM 103 H63 UNL 1 -3.581 -2.257 -1.103 1.00 0.00 H HETATM 104 H64 UNL 1 -3.767 1.067 -1.220 1.00 0.00 H HETATM 105 H65 UNL 1 -3.259 -0.374 -2.165 1.00 0.00 H HETATM 106 H66 UNL 1 -2.081 0.801 -1.611 1.00 0.00 H CONECT 1 2 41 42 43 CONECT 2 3 44 45 CONECT 3 4 46 47 CONECT 4 5 48 49 CONECT 5 6 50 51 CONECT 6 7 52 53 CONECT 7 8 54 55 CONECT 8 9 9 10 CONECT 10 11 CONECT 11 12 56 57 CONECT 12 13 58 59 CONECT 13 14 60 61 CONECT 14 15 22 62 CONECT 15 16 16 19 CONECT 16 17 18 CONECT 17 63 64 65 CONECT 18 66 67 68 CONECT 19 20 69 70 CONECT 20 21 71 72 CONECT 21 22 39 73 CONECT 22 23 24 CONECT 23 74 75 76 CONECT 24 25 77 78 CONECT 25 26 79 80 CONECT 26 27 28 39 CONECT 27 81 82 83 CONECT 28 29 37 84 CONECT 29 30 31 85 CONECT 30 86 87 88 CONECT 31 32 89 90 CONECT 32 33 91 92 CONECT 33 34 34 93 CONECT 34 35 36 CONECT 35 94 95 96 CONECT 36 97 98 99 CONECT 37 38 100 101 CONECT 38 39 102 103 CONECT 39 40 CONECT 40 104 105 106 END