ATOM 1 HO1 ROH 1 -3.186 9.845 -1.538 1.00 0.00 H ATOM 2 O1 ROH 1 -3.919 10.040 -2.125 1.00 0.00 O ATOM 3 C1 2XA 2 -3.506 11.201 -2.828 1.00 0.00 C ATOM 4 H1 2XA 2 -3.535 12.050 -2.147 1.00 0.00 H ATOM 5 C2 2XA 2 -4.401 11.488 -4.061 1.00 0.00 C ATOM 6 H2 2XA 2 -4.071 12.430 -4.505 1.00 0.00 H ATOM 7 C3 2XA 2 -4.226 10.382 -5.116 1.00 0.00 C ATOM 8 H3 2XA 2 -4.622 9.442 -4.728 1.00 0.00 H ATOM 9 C4 2XA 2 -2.743 10.196 -5.518 1.00 0.00 C ATOM 10 H4 2XA 2 -2.384 11.096 -6.020 1.00 0.00 H ATOM 11 C5 2XA 2 -1.875 9.939 -4.272 1.00 0.00 C ATOM 12 H5E 2XA 2 -0.819 9.948 -4.544 1.00 0.00 H ATOM 13 H5A 2XA 2 -2.103 8.959 -3.850 1.00 0.00 H ATOM 14 O5 2XA 2 -2.115 10.979 -3.235 1.00 0.00 O ATOM 15 O4 2XA 2 -2.602 9.068 -6.425 1.00 0.00 O ATOM 16 H4O 2XA 2 -3.193 9.211 -7.175 1.00 0.00 H ATOM 17 O3 2XA 2 -4.988 10.753 -6.295 1.00 0.00 O ATOM 18 H3O 2XA 2 -5.903 10.893 -6.029 1.00 0.00 H ATOM 19 O2 2XA 2 -5.844 11.609 -3.680 1.00 0.00 O ATOM 20 C1 0FB 3 -6.315 12.982 -3.417 1.00 0.00 C ATOM 21 H1 0FB 3 -6.183 13.574 -4.324 1.00 0.00 H ATOM 22 O5 0FB 3 -5.537 13.599 -2.322 1.00 0.00 O ATOM 23 C5 0FB 3 -5.949 14.967 -1.912 1.00 0.00 C ATOM 24 H5 0FB 3 -5.817 15.627 -2.771 1.00 0.00 H ATOM 25 C6 0FB 3 -4.992 15.443 -0.816 1.00 0.00 C ATOM 26 H63 0FB 3 -5.244 16.451 -0.482 1.00 0.00 H ATOM 27 H62 0FB 3 -5.012 14.791 0.058 1.00 0.00 H ATOM 28 H61 0FB 3 -3.963 15.471 -1.177 1.00 0.00 H ATOM 29 C4 0FB 3 -7.450 14.986 -1.530 1.00 0.00 C ATOM 30 H4 0FB 3 -7.766 16.017 -1.363 1.00 0.00 H ATOM 31 O4 0FB 3 -7.657 14.241 -0.305 1.00 0.00 O ATOM 32 H4O 0FB 3 -8.610 14.178 -0.165 1.00 0.00 H ATOM 33 C3 0FB 3 -8.301 14.367 -2.664 1.00 0.00 C ATOM 34 H3 0FB 3 -8.214 15.007 -3.544 1.00 0.00 H ATOM 35 O3 0FB 3 -9.700 14.351 -2.265 1.00 0.00 O ATOM 36 H3O 0FB 3 -10.190 13.888 -2.959 1.00 0.00 H ATOM 37 C2 0FB 3 -7.822 12.944 -3.039 1.00 0.00 C ATOM 38 H2 0FB 3 -7.967 12.271 -2.192 1.00 0.00 H ATOM 39 O2 0FB 3 -8.619 12.454 -4.163 1.00 0.00 O ATOM 40 H2O 0FB 3 -8.442 11.512 -4.272 1.00 0.00 H TER 41 0FB 3 END