REMARK  Name = BDB064246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.582  -2.752  -2.050  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -1.358  -2.597  -0.535  0.00  0.00    +0.133 C 
ATOM      3  C   LIG    1       -2.255  -1.433  -0.059  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1       -3.398  -1.644   0.353  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1       -1.743  -0.141  -0.240  0.00  0.00    -0.262 N 
ATOM      6  C   LIG    1       -0.313   0.033  -0.230  0.00  0.00    +0.095 A 
ATOM      7  C   LIG    1        0.552  -1.062  -0.195  0.00  0.00    +0.148 A 
ATOM      8  N   LIG    1        1.889  -0.914  -0.087  0.00  0.00    -0.211 NA
ATOM      9  C   LIG    1        2.405   0.328  -0.035  0.00  0.00    +0.162 A 
ATOM     10  N   LIG    1        1.658   1.438  -0.086  0.00  0.00    -0.234 NA
ATOM     11  C   LIG    1        0.323   1.263  -0.172  0.00  0.00    +0.140 A 
ATOM     12  N   LIG    1        0.076  -2.356  -0.298  0.00  0.00    -0.296 N 
ATOM     13  C   LIG    1        0.871  -3.449   0.266  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1        0.379  -4.799  -0.273  0.00  0.00    +0.179 C 
ATOM     15  O   LIG    1       -1.021  -5.052  -0.097  0.00  0.00    -0.376 OA
ATOM     16  C   LIG    1       -1.795  -3.882   0.216  0.00  0.00    +0.195 C 
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1        3.870   0.445   0.048  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        4.507   1.619   0.544  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        5.906   1.665   0.598  0.00  0.00    +0.047 A 
ATOM     20  N   LIG    1        6.265   2.893   1.110  0.00  0.00    -0.361 N 
ATOM     21  H   LIG    1        7.218   3.194   1.254  0.00  0.00    +0.165 HD
ATOM     22  C   LIG    1        5.153   3.631   1.397  0.00  0.00    +0.083 A 
ATOM     23  C   LIG    1        6.724   0.608   0.186  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        6.102  -0.541  -0.292  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        4.055   2.874   1.062  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        4.713  -0.620  -0.358  0.00  0.00    +0.012 A 
ENDBRANCH   9  17
BRANCH   5  27
ATOM     27  C   LIG    1       -2.639   1.026  -0.092  0.00  0.00    +0.082 C 
ATOM     28  C   LIG    1       -2.959   1.331   1.384  0.00  0.00    +0.025 C 
ATOM     29  C   LIG    1       -4.261   2.119   1.570  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1       -4.562   3.036   0.389  0.00  0.00    +0.115 C 
ATOM     31  C   LIG    1       -4.710   2.255  -0.922  0.00  0.00    +0.033 C 
ATOM     32  C   LIG    1       -3.925   0.935  -0.937  0.00  0.00    +0.025 C 
BRANCH  30  33
ATOM     33  O   LIG    1       -3.482   3.963   0.260  0.00  0.00    -0.392 OA
ATOM     34  H   LIG    1       -3.767   4.654  -0.363  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH   5  27
TORSDOF 3