ATOM 1 HO1 ROH 1 -3.752 9.404 -1.346 1.00 0.00 H ATOM 2 O1 ROH 1 -3.831 9.576 -2.288 1.00 0.00 O ATOM 3 C1 4GB 2 -3.666 10.979 -2.429 1.00 0.00 C ATOM 4 H1 4GB 2 -2.619 11.199 -2.642 1.00 0.00 H ATOM 5 O5 4GB 2 -4.036 11.576 -1.147 1.00 0.00 O ATOM 6 C5 4GB 2 -3.933 13.062 -1.101 1.00 0.00 C ATOM 7 H5 4GB 2 -2.901 13.341 -1.327 1.00 0.00 H ATOM 8 C6 4GB 2 -4.273 13.543 0.323 1.00 0.00 C ATOM 9 H62 4GB 2 -5.275 13.218 0.604 1.00 0.00 H ATOM 10 H61 4GB 2 -4.238 14.631 0.377 1.00 0.00 H ATOM 11 O6 4GB 2 -3.322 13.006 1.258 1.00 0.00 O ATOM 12 H6O 4GB 2 -3.343 12.046 1.204 1.00 0.00 H ATOM 13 C4 4GB 2 -4.860 13.688 -2.162 1.00 0.00 C ATOM 14 H4 4GB 2 -5.896 13.518 -1.856 1.00 0.00 H ATOM 15 H2O 4GB 2 -4.065 10.078 -4.819 1.00 0.00 H ATOM 16 C3 4GB 2 -4.636 13.059 -3.567 1.00 0.00 C ATOM 17 H3 4GB 2 -3.690 13.434 -3.963 1.00 0.00 H ATOM 18 O3 4GB 2 -5.703 13.447 -4.479 1.00 0.00 O ATOM 19 H3O 4GB 2 -5.530 13.003 -5.321 1.00 0.00 H ATOM 20 C2 4GB 2 -4.593 11.512 -3.553 1.00 0.00 C ATOM 21 H2 4GB 2 -5.602 11.127 -3.387 1.00 0.00 H ATOM 22 O2 4GB 2 -4.124 11.042 -4.851 1.00 0.00 O ATOM 23 O4 4GB 2 -4.555 15.150 -2.165 1.00 0.00 O ATOM 24 C1 4LB 3 -5.728 16.042 -2.180 1.00 0.00 C ATOM 25 H1 4LB 3 -6.441 15.699 -1.429 1.00 0.00 H ATOM 26 O5 4LB 3 -6.358 15.993 -3.501 1.00 0.00 O ATOM 27 C5 4LB 3 -7.566 16.823 -3.705 1.00 0.00 C ATOM 28 H5 4LB 3 -8.311 16.538 -2.960 1.00 0.00 H ATOM 29 C6 4LB 3 -8.136 16.504 -5.097 1.00 0.00 C ATOM 30 H62 4LB 3 -7.436 16.802 -5.878 1.00 0.00 H ATOM 31 H61 4LB 3 -9.077 17.030 -5.255 1.00 0.00 H ATOM 32 O6 4LB 3 -8.356 15.086 -5.190 1.00 0.00 O ATOM 33 H6O 4LB 3 -7.546 14.640 -4.896 1.00 0.00 H ATOM 34 C4 4LB 3 -7.174 18.295 -3.471 1.00 0.00 C ATOM 35 H4 4LB 3 -8.071 18.916 -3.523 1.00 0.00 H ATOM 36 H2O 4LB 3 -4.029 17.116 -0.400 1.00 0.00 H ATOM 37 C3 4LB 3 -6.545 18.440 -2.062 1.00 0.00 C ATOM 38 H3 4LB 3 -7.303 18.168 -1.325 1.00 0.00 H ATOM 39 O3 4LB 3 -6.188 19.827 -1.821 1.00 0.00 O ATOM 40 H3O 4LB 3 -5.746 19.871 -0.961 1.00 0.00 H ATOM 41 C2 4LB 3 -5.318 17.508 -1.868 1.00 0.00 C ATOM 42 H2 4LB 3 -4.511 17.814 -2.535 1.00 0.00 H ATOM 43 O2 4LB 3 -4.854 17.608 -0.490 1.00 0.00 O ATOM 44 O4 4LB 3 -6.200 18.702 -4.522 1.00 0.00 O ATOM 45 C1 3LA 4 -6.704 19.687 -5.498 1.00 0.00 C ATOM 46 H1 3LA 4 -7.673 19.349 -5.867 1.00 0.00 H ATOM 47 C2 3LA 4 -5.735 19.785 -6.714 1.00 0.00 C ATOM 48 H2 3LA 4 -6.241 20.324 -7.516 1.00 0.00 H ATOM 49 C3 3LA 4 -4.444 20.550 -6.341 1.00 0.00 C ATOM 50 H3 3LA 4 -3.900 19.961 -5.599 1.00 0.00 H ATOM 51 C4 3LA 4 -4.733 21.921 -5.700 1.00 0.00 C ATOM 52 H4 3LA 4 -3.789 22.373 -5.392 1.00 0.00 H ATOM 53 C5 3LA 4 -5.627 21.725 -4.461 1.00 0.00 C ATOM 54 H5 3LA 4 -5.058 21.099 -3.772 1.00 0.00 H ATOM 55 C6 3LA 4 -5.997 23.022 -3.722 1.00 0.00 C ATOM 56 H62 3LA 4 -5.148 23.707 -3.702 1.00 0.00 H ATOM 57 H61 3LA 4 -6.831 23.522 -4.214 1.00 0.00 H ATOM 58 O6 3LA 4 -6.356 22.700 -2.364 1.00 0.00 O ATOM 59 H6O 3LA 4 -6.660 21.779 -2.339 1.00 0.00 H ATOM 60 O5 3LA 4 -6.875 20.994 -4.838 1.00 0.00 O ATOM 61 O4 3LA 4 -5.366 22.803 -6.662 1.00 0.00 O ATOM 62 H4O 3LA 4 -4.821 22.840 -7.458 1.00 0.00 H ATOM 63 H2O 3LA 4 -5.219 17.864 -6.465 1.00 0.00 H ATOM 64 O2 3LA 4 -5.397 18.449 -7.211 1.00 0.00 O ATOM 65 O3 3LA 4 -3.577 20.761 -7.535 1.00 0.00 O ATOM 66 C1 4VB 5 -2.460 19.806 -7.640 1.00 0.00 C ATOM 67 H1 4VB 5 -2.842 18.803 -7.445 1.00 0.00 H ATOM 68 O5 4VB 5 -1.453 20.131 -6.598 1.00 0.00 O ATOM 69 C5 4VB 5 -0.198 19.323 -6.597 1.00 0.00 C ATOM 70 H5 4VB 5 -0.459 18.283 -6.393 1.00 0.00 H ATOM 71 C6 4VB 5 0.732 19.813 -5.475 1.00 0.00 C ATOM 72 H62 4VB 5 0.967 20.870 -5.601 1.00 0.00 H ATOM 73 H61 4VB 5 1.665 19.248 -5.480 1.00 0.00 H ATOM 74 O6 4VB 5 0.076 19.625 -4.213 1.00 0.00 O ATOM 75 H6O 4VB 5 -0.766 20.089 -4.242 1.00 0.00 H ATOM 76 C4 4VB 5 0.449 19.396 -7.993 1.00 0.00 C ATOM 77 H4 4VB 5 1.341 18.767 -8.002 1.00 0.00 H ATOM 78 H1M 4VB 5 -3.659 18.280 -12.510 1.00 0.00 H ATOM 79 C3 4VB 5 -0.573 18.888 -9.031 1.00 0.00 C ATOM 80 H3 4VB 5 -0.909 17.900 -8.712 1.00 0.00 H ATOM 81 O3 4VB 5 0.076 18.682 -10.317 1.00 0.00 O ATOM 82 H3O 4VB 5 0.638 19.431 -10.590 1.00 0.00 H ATOM 83 C2 4VB 5 -1.825 19.815 -9.066 1.00 0.00 C ATOM 84 H2 4VB 5 -1.510 20.835 -9.293 1.00 0.00 H ATOM 85 N2 4VB 5 -2.802 19.383 -10.086 1.00 0.00 N ATOM 86 H2N 4VB 5 -3.448 18.651 -9.839 1.00 0.00 H ATOM 87 C2N 4VB 5 -2.837 19.893 -11.319 1.00 0.00 C ATOM 88 O2N 4VB 5 -2.060 20.777 -11.682 1.00 0.00 O ATOM 89 CME 4VB 5 -3.904 19.315 -12.269 1.00 0.00 C ATOM 90 H3M 4VB 5 -4.886 19.352 -11.795 1.00 0.00 H ATOM 91 H2M 4VB 5 -3.939 19.894 -13.193 1.00 0.00 H ATOM 92 O4 4VB 5 0.814 20.814 -8.254 1.00 0.00 O ATOM 93 C1 0LA 6 2.078 21.052 -8.974 1.00 0.00 C ATOM 94 H1 0LA 6 2.833 20.366 -8.589 1.00 0.00 H ATOM 95 C2 0LA 6 2.580 22.504 -8.706 1.00 0.00 C ATOM 96 H2 0LA 6 3.628 22.566 -9.001 1.00 0.00 H ATOM 97 C3 0LA 6 1.763 23.541 -9.512 1.00 0.00 C ATOM 98 H3 0LA 6 0.737 23.548 -9.139 1.00 0.00 H ATOM 99 C4 0LA 6 1.730 23.211 -11.019 1.00 0.00 C ATOM 100 H4 0LA 6 1.102 23.941 -11.533 1.00 0.00 H ATOM 101 C5 0LA 6 1.146 21.799 -11.237 1.00 0.00 C ATOM 102 H5 0LA 6 0.115 21.825 -10.885 1.00 0.00 H ATOM 103 C6 0LA 6 1.141 21.386 -12.724 1.00 0.00 C ATOM 104 H62 0LA 6 0.750 22.199 -13.337 1.00 0.00 H ATOM 105 H61 0LA 6 2.152 21.158 -13.063 1.00 0.00 H ATOM 106 O6 0LA 6 0.305 20.231 -12.919 1.00 0.00 O ATOM 107 H6O 0LA 6 -0.580 20.409 -12.554 1.00 0.00 H ATOM 108 O5 0LA 6 1.884 20.786 -10.415 1.00 0.00 O ATOM 109 O4 0LA 6 3.070 23.293 -11.569 1.00 0.00 O ATOM 110 H4O 0LA 6 3.424 24.164 -11.343 1.00 0.00 H ATOM 111 O3 0LA 6 2.310 24.877 -9.336 1.00 0.00 O ATOM 112 H3O 0LA 6 2.491 25.013 -8.396 1.00 0.00 H ATOM 113 O2 0LA 6 2.485 22.835 -7.281 1.00 0.00 O ATOM 114 H2O 0LA 6 1.593 22.648 -6.967 1.00 0.00 H TER 115 0LA 6 END