ATOM 1 HO1 ROH 1 -3.941 9.763 -1.466 1.00 0.00 H ATOM 2 O1 ROH 1 -4.109 9.540 -2.384 1.00 0.00 O ATOM 3 C1 PTA 2 -3.550 8.250 -2.672 1.00 0.00 C ATOM 4 H1 PTA 2 -2.476 8.310 -2.500 1.00 0.00 H ATOM 5 C2 PTA 2 -3.809 7.922 -4.159 1.00 0.00 C ATOM 6 H2 PTA 2 -3.633 8.813 -4.765 1.00 0.00 H ATOM 7 C3 PTA 2 -5.250 7.433 -4.424 1.00 0.00 C ATOM 8 H3 PTA 2 -5.922 8.282 -4.286 1.00 0.00 H ATOM 9 C4 PTA 2 -5.714 6.331 -3.454 1.00 0.00 C ATOM 10 H4 PTA 2 -6.778 6.143 -3.612 1.00 0.00 H ATOM 11 C5 PTA 2 -5.514 6.790 -1.995 1.00 0.00 C ATOM 12 H5 PTA 2 -6.138 7.672 -1.847 1.00 0.00 H ATOM 13 C6 PTA 2 -5.909 5.794 -0.897 1.00 0.00 C ATOM 14 H62 PTA 2 -5.847 6.282 0.077 1.00 0.00 H ATOM 15 H61 PTA 2 -6.940 5.471 -1.050 1.00 0.00 H ATOM 16 O5 PTA 2 -4.103 7.198 -1.788 1.00 0.00 O ATOM 17 O6 PTA 2 -5.019 4.623 -0.910 1.00 0.00 O ATOM 18 O4 PTA 2 -4.943 5.091 -3.692 1.00 0.00 O ATOM 19 O3 PTA 2 -5.398 6.952 -5.813 1.00 0.00 O ATOM 20 O2 PTA 2 -2.853 6.875 -4.574 1.00 0.00 O ATOM 21 CH3 MEX 3 -5.347 3.599 0.086 1.00 0.00 C ATOM 22 H1 MEX 3 -6.354 3.217 -0.086 1.00 0.00 H ATOM 23 H2 MEX 3 -5.288 4.019 1.090 1.00 0.00 H ATOM 24 H3 MEX 3 -4.639 2.774 0.006 1.00 0.00 H ATOM 25 CH3 MEX 4 -5.660 4.007 -4.373 1.00 0.00 C ATOM 26 H1 MEX 4 -6.000 4.338 -5.355 1.00 0.00 H ATOM 27 H2 MEX 4 -6.520 3.697 -3.780 1.00 0.00 H ATOM 28 H3 MEX 4 -4.993 3.154 -4.500 1.00 0.00 H ATOM 29 CH3 MEX 5 -5.450 7.983 -6.858 1.00 0.00 C ATOM 30 H1 MEX 5 -4.515 8.542 -6.884 1.00 0.00 H ATOM 31 H2 MEX 5 -6.275 8.669 -6.667 1.00 0.00 H ATOM 32 H3 MEX 5 -5.602 7.509 -7.827 1.00 0.00 H ATOM 33 CH3 MEX 6 -1.520 7.340 -4.977 1.00 0.00 C ATOM 34 H1 MEX 6 -1.032 7.857 -4.151 1.00 0.00 H ATOM 35 H2 MEX 6 -1.601 8.018 -5.827 1.00 0.00 H ATOM 36 H3 MEX 6 -0.909 6.484 -5.267 1.00 0.00 H TER 37 MEX 6 END