CHARGE 1.00 ( 1 ) Formula: H51 C43 N6 O18 P1 ATOM 1 C1 MOL 1 -2.011 3.429 -0.508 -0.300864 CA ATOM 2 C2 MOL 1 -0.899 3.318 -1.350 0.487255 CA ATOM 3 O1 MOL 1 -1.008 2.576 -2.532 -0.563703 OH ATOM 4 H1 MOL 1 -0.350 1.824 -2.516 0.365866 HO ATOM 5 C3 MOL 1 0.324 3.931 -1.032 -0.501057 CA ATOM 6 C4 MOL 1 1.496 3.752 -1.918 0.837773 C ATOM 7 O2 MOL 1 1.360 3.019 -2.918 -0.547067 O ATOM 8 C5 MOL 1 2.876 4.276 -1.479 -0.386777 CA ATOM 9 C6 MOL 1 4.032 3.952 -2.216 0.451761 CA ATOM 10 O3 MOL 1 3.996 3.088 -3.351 -0.578838 OH ATOM 11 H2 MOL 1 -5.660 1.740 -1.194 0.138503 H2 ATOM 12 C7 MOL 1 5.269 4.432 -1.816 -0.245816 CA ATOM 13 H3 MOL 1 6.086 4.202 -2.345 0.183436 HA ATOM 14 C8 MOL 1 5.383 5.228 -0.690 -0.059536 CA ATOM 15 H4 MOL 1 6.278 5.588 -0.423 0.173410 HA ATOM 16 C9 MOL 1 4.265 5.527 0.070 -0.159099 CA ATOM 17 H5 MOL 1 -8.450 -5.486 0.593 0.017566 H1 ATOM 18 C10 MOL 1 3.003 5.045 -0.311 -0.075508 CA ATOM 19 C11 MOL 1 1.775 5.308 0.545 0.621115 C ATOM 20 O4 MOL 1 1.851 5.923 1.635 -0.473757 O ATOM 21 C12 MOL 1 0.453 4.672 0.132 -0.039337 CA ATOM 22 C13 MOL 1 -0.658 4.805 0.953 0.243382 CA ATOM 23 O5 MOL 1 -0.559 5.523 2.095 -0.535950 OH ATOM 24 H6 MOL 1 -1.455 5.512 2.473 0.434299 HO ATOM 25 C14 MOL 1 -1.872 4.196 0.639 -0.078212 CA ATOM 26 C15 MOL 1 -3.043 4.264 1.553 0.002153 CT ATOM 27 H7 MOL 1 -3.113 3.389 2.033 0.009644 HC ATOM 28 H8 MOL 1 -2.880 4.995 2.214 0.009644 HC ATOM 29 C16 MOL 1 -4.355 4.531 0.875 0.310638 CT ATOM 30 C17 MOL 1 -5.362 3.976 1.767 0.476647 C ATOM 31 C18 MOL 1 -5.783 4.709 2.978 -0.295161 CT ATOM 32 H9 MOL 1 -4.992 4.850 3.575 0.094014 HC ATOM 33 H10 MOL 1 -6.478 4.180 3.465 0.094014 HC ATOM 34 H11 MOL 1 -6.164 5.596 2.715 0.094014 HC ATOM 35 O6 MOL 1 -5.937 2.953 1.440 -0.514406 O ATOM 36 H12 MOL 1 -4.502 5.621 0.805 -0.037463 HC ATOM 37 C19 MOL 1 -4.370 3.939 -0.558 -0.217806 CT ATOM 38 H13 MOL 1 -5.303 3.632 -0.747 0.048463 HC ATOM 39 H14 MOL 1 -4.126 4.675 -1.189 0.048463 HC ATOM 40 C20 MOL 1 -3.432 2.759 -0.844 0.351517 CT ATOM 41 H15 MOL 1 -3.409 2.466 -1.892 0.056089 H1 ATOM 42 O7 MOL 1 -3.955 1.584 -0.037 -0.483603 OS ATOM 43 C21 MOL 1 -5.124 1.009 -0.772 0.420060 CT ATOM 44 O8 MOL 1 -5.923 0.290 0.047 -0.406275 OS ATOM 45 C22 MOL 1 -5.196 -0.619 0.737 0.289630 CT ATOM 46 C23 MOL 1 -6.126 -1.219 1.793 -0.134039 CT ATOM 47 H16 MOL 1 -5.627 -1.901 2.330 0.073737 HC ATOM 48 H17 MOL 1 -6.905 -1.657 1.342 0.073737 HC ATOM 49 H18 MOL 1 -6.456 -0.495 2.399 0.073737 HC ATOM 50 H19 MOL 1 -4.420 -0.080 1.278 0.065154 H1 ATOM 51 C24 MOL 1 -4.497 -1.672 -0.226 -0.078031 CT ATOM 52 H20 MOL 1 -3.892 -2.359 0.373 0.044063 H1 ATOM 53 O9 MOL 1 -5.434 -2.473 -1.001 -0.390769 OS ATOM 54 C25 MOL 1 -5.347 -3.724 -0.303 0.600672 CT ATOM 55 C26 MOL 1 -6.597 -4.767 -0.398 -0.415005 CT ATOM 56 C27 MOL 1 -7.711 -4.694 0.727 0.430948 CT ATOM 57 C28 MOL 1 -8.468 -3.363 0.728 -0.277540 CT ATOM 58 H21 MOL 1 -9.155 -3.372 1.455 0.095571 HC ATOM 59 H22 MOL 1 -8.920 -3.235 -0.155 0.095571 HC ATOM 60 H23 MOL 1 -7.826 -2.614 0.886 0.095571 HC ATOM 61 O10 MOL 1 -7.021 -4.968 2.048 -0.729320 OH ATOM 62 H24 MOL 1 -6.696 -5.937 2.121 0.424275 HO ATOM 63 H25 MOL 1 -6.216 -5.692 -0.380 0.149611 HC ATOM 64 H26 MOL 1 -7.050 -4.611 -1.276 0.149611 HC ATOM 65 H27 MOL 1 -5.262 -3.450 0.766 0.022928 H2 ATOM 66 O11 MOL 1 -4.099 -4.625 -0.648 -0.548610 OS ATOM 67 C29 MOL 1 -2.759 -4.264 -1.355 0.089748 CT ATOM 68 C30 MOL 1 -3.072 -4.431 -2.867 -0.209924 CT ATOM 69 H28 MOL 1 -3.350 -5.374 -3.048 0.097395 HC ATOM 70 H29 MOL 1 -2.255 -4.215 -3.403 0.097395 HC ATOM 71 H30 MOL 1 -3.812 -3.810 -3.125 0.097395 HC ATOM 72 H31 MOL 1 -2.081 -5.050 -1.109 0.164768 H1 ATOM 73 C31 MOL 1 -1.882 -2.910 -1.222 0.028516 CT ATOM 74 H32 MOL 1 -1.752 -2.683 -0.256 0.244933 HP ATOM 75 N1 MOL 1 -2.690 -1.733 -1.958 -0.262279 N3 ATOM 76 C32 MOL 1 -3.568 -0.927 -1.098 0.096373 CT ATOM 77 H33 MOL 1 -2.923 -0.411 -0.480 0.085244 HP ATOM 78 C33 MOL 1 -4.448 0.119 -1.888 -0.466987 CT ATOM 79 H34 MOL 1 -5.143 -0.349 -2.434 0.173373 HC ATOM 80 H35 MOL 1 -3.876 0.679 -2.486 0.173373 HC ATOM 81 H36 MOL 1 -3.254 -2.148 -2.671 0.315708 H ATOM 82 H37 MOL 1 4.358 6.083 0.896 0.169876 HA ATOM 83 H38 MOL 1 3.632 2.196 -3.081 0.363440 HO ATOM 84 P1 MOL 1 6.799 -1.856 2.584 1.777141 P ATOM 85 O12 MOL 1 7.058 -3.040 3.180 -0.957727 O2 ATOM 86 O13 MOL 1 5.637 -1.302 3.134 -0.722453 OH ATOM 87 O14 MOL 1 6.622 -2.054 1.209 -0.474817 OS ATOM 88 C34 MOL 1 6.769 -3.426 0.909 -0.230430 CT ATOM 89 H39 MOL 1 5.993 -4.006 1.410 0.152153 H1 ATOM 90 H40 MOL 1 7.746 -3.752 1.262 0.152153 H1 ATOM 91 C35 MOL 1 6.696 -3.640 -0.603 0.332586 CT ATOM 92 H41 MOL 1 7.320 -4.487 -0.887 0.083055 H1 ATOM 93 O15 MOL 1 5.363 -3.830 -1.041 -0.479206 OS ATOM 94 C36 MOL 1 4.765 -2.556 -1.202 0.374248 CT ATOM 95 H42 MOL 1 4.229 -2.518 -2.150 0.108784 H2 ATOM 96 N2 MOL 1 3.837 -2.307 -0.087 -0.333391 N* ATOM 97 C37 MOL 1 4.146 -1.841 1.164 0.576723 CK ATOM 98 H43 MOL 1 5.155 -1.623 1.480 0.038929 H5 ATOM 99 N3 MOL 1 3.115 -1.707 1.946 -0.580439 NB ATOM 100 C38 MOL 1 2.043 -2.085 1.146 0.147529 CB ATOM 101 C39 MOL 1 0.666 -2.115 1.471 0.644221 C ATOM 102 O16 MOL 1 0.122 -1.826 2.533 -0.354048 O ATOM 103 N4 MOL 1 -0.092 -2.509 0.383 -0.743844 NA ATOM 104 H44 MOL 1 -1.093 -2.528 0.516 0.352378 H ATOM 105 C40 MOL 1 0.393 -2.829 -0.869 0.964381 CA ATOM 106 N5 MOL 1 -0.596 -3.048 -1.753 -0.697094 N2 ATOM 107 H45 MOL 1 -0.441 -3.274 -2.724 0.478746 H ATOM 108 N6 MOL 1 1.700 -2.820 -1.177 -0.731278 NC ATOM 109 C41 MOL 1 2.464 -2.439 -0.113 0.590232 CB ATOM 110 C42 MOL 1 7.148 -2.362 -1.292 0.297897 CT ATOM 111 H46 MOL 1 7.988 -1.898 -0.776 0.066618 H1 ATOM 112 C43 MOL 1 5.888 -1.518 -1.185 -0.283146 CT ATOM 113 H47 MOL 1 5.879 -0.983 -0.235 0.074694 HC ATOM 114 H48 MOL 1 5.803 -0.826 -2.023 0.074694 HC ATOM 115 O17 MOL 1 7.466 -2.617 -2.641 -0.722542 OH ATOM 116 H49 MOL 1 4.868 -1.924 2.986 0.380178 HO ATOM 117 H50 MOL 1 7.688 -1.755 -3.098 0.445753 HO ATOM 118 H51 MOL 1 -3.317 -2.310 -1.433 0.315708 H ATOM 119 O18 MOL 1 7.837 -1.015 2.784 -0.957727 O2 BOND 1 1 2 7 C1 C2 BOND 2 1 25 8 C1 C14 BOND 3 1 40 1 C1 C20 BOND 4 2 3 1 C2 O1 BOND 5 2 5 8 C2 C3 BOND 6 3 4 1 O1 H1 BOND 7 5 6 1 C3 C4 BOND 8 5 21 7 C3 C12 BOND 9 6 7 2 C4 O2 BOND 10 6 8 1 C4 C5 BOND 11 8 9 7 C5 C6 BOND 12 8 18 8 C5 C10 BOND 13 9 10 1 C6 O3 BOND 14 9 12 8 C6 C7 BOND 15 10 83 1 O3 H38 BOND 16 11 43 1 H2 C21 BOND 17 12 13 1 C7 H3 BOND 18 12 14 7 C7 C8 BOND 19 14 15 1 C8 H4 BOND 20 14 16 8 C8 C9 BOND 21 16 18 7 C9 C10 BOND 22 16 82 1 C9 H37 BOND 23 17 56 1 H5 C27 BOND 24 18 19 1 C10 C11 BOND 25 19 20 2 C11 O4 BOND 26 19 21 1 C11 C12 BOND 27 21 22 8 C12 C13 BOND 28 22 23 1 C13 O5 BOND 29 22 25 7 C13 C14 BOND 30 23 24 1 O5 H6 BOND 31 25 26 1 C14 C15 BOND 32 26 27 1 C15 H7 BOND 33 26 28 1 C15 H8 BOND 34 26 29 1 C15 C16 BOND 35 29 30 1 C16 C17 BOND 36 29 36 1 C16 H12 BOND 37 29 37 1 C16 C19 BOND 38 30 31 1 C17 C18 BOND 39 30 35 2 C17 O6 BOND 40 31 32 1 C18 H9 BOND 41 31 33 1 C18 H10 BOND 42 31 34 1 C18 H11 BOND 43 37 38 1 C19 H13 BOND 44 37 39 1 C19 H14 BOND 45 37 40 1 C19 C20 BOND 46 40 41 1 C20 H15 BOND 47 40 42 1 C20 O7 BOND 48 42 43 1 O7 C21 BOND 49 43 44 1 C21 O8 BOND 50 43 78 1 C21 C33 BOND 51 44 45 1 O8 C22 BOND 52 45 46 1 C22 C23 BOND 53 45 50 1 C22 H19 BOND 54 45 51 1 C22 C24 BOND 55 46 47 1 C23 H16 BOND 56 46 48 1 C23 H17 BOND 57 46 49 1 C23 H18 BOND 58 51 52 1 C24 H20 BOND 59 51 53 1 C24 O9 BOND 60 51 76 1 C24 C32 BOND 61 53 54 1 O9 C25 BOND 62 54 55 1 C25 C26 BOND 63 54 65 1 C25 H27 BOND 64 54 66 1 C25 O11 BOND 65 55 56 1 C26 C27 BOND 66 55 63 1 C26 H25 BOND 67 55 64 1 C26 H26 BOND 68 56 57 1 C27 C28 BOND 69 56 61 1 C27 O10 BOND 70 57 58 1 C28 H21 BOND 71 57 59 1 C28 H22 BOND 72 57 60 1 C28 H23 BOND 73 61 62 1 O10 H24 BOND 74 66 67 1 O11 C29 BOND 75 67 68 1 C29 C30 BOND 76 67 72 1 C29 H31 BOND 77 67 73 1 C29 C31 BOND 78 68 69 1 C30 H28 BOND 79 68 70 1 C30 H29 BOND 80 68 71 1 C30 H30 BOND 81 73 74 1 C31 H32 BOND 82 73 75 1 C31 N1 BOND 83 73 106 1 C31 N5 BOND 84 75 76 1 N1 C32 BOND 85 75 81 1 N1 H36 BOND 86 75 118 1 N1 H51 BOND 87 76 77 1 C32 H33 BOND 88 76 78 1 C32 C33 BOND 89 78 79 1 C33 H34 BOND 90 78 80 1 C33 H35 BOND 91 84 85 9 P1 O12 BOND 92 84 86 1 P1 O13 BOND 93 84 87 1 P1 O14 BOND 94 84 119 9 P1 O18 BOND 95 86 116 1 O13 H49 BOND 96 87 88 1 O14 C34 BOND 97 88 89 1 C34 H39 BOND 98 88 90 1 C34 H40 BOND 99 88 91 1 C34 C35 BOND 100 91 92 1 C35 H41 BOND 101 91 93 1 C35 O15 BOND 102 91 110 1 C35 C42 BOND 103 93 94 1 O15 C36 BOND 104 94 95 1 C36 H42 BOND 105 94 96 1 C36 N2 BOND 106 94 112 1 C36 C43 BOND 107 96 97 7 N2 C37 BOND 108 96 109 7 N2 C41 BOND 109 97 98 1 C37 H43 BOND 110 97 99 8 C37 N3 BOND 111 99 100 7 N3 C38 BOND 112 100 101 1 C38 C39 BOND 113 100 109 8 C38 C41 BOND 114 101 102 2 C39 O16 BOND 115 101 103 1 C39 N4 BOND 116 103 104 1 N4 H44 BOND 117 103 105 1 N4 C40 BOND 118 105 106 1 C40 N5 BOND 119 105 108 2 C40 N6 BOND 120 106 107 1 N5 H45 BOND 121 108 109 1 N6 C41 BOND 122 110 111 1 C42 H46 BOND 123 110 112 1 C42 C43 BOND 124 110 115 1 C42 O17 BOND 125 112 113 1 C43 H47 BOND 126 112 114 1 C43 H48 BOND 127 115 117 1 O17 H50