REMARK  Name = BDB062042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.570   1.676   1.707  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1       -4.685   0.739   0.559  0.00  0.00    +0.021 A 
ATOM      3  N   LIG    1       -3.591   0.139  -0.038  0.00  0.00    -0.314 N 
ATOM      4  C   LIG    1       -4.035  -0.666  -1.068  0.00  0.00    +0.111 A 
ATOM      5  C   LIG    1       -3.092  -1.415  -1.866  0.00  0.00    +0.273 A 
ATOM      6  N   LIG    1       -1.767  -1.240  -1.504  0.00  0.00    -0.319 N 
ATOM      7  H   LIG    1       -1.097  -1.773  -2.042  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -1.336  -0.435  -0.468  0.00  0.00    +0.066 A 
ATOM      9  O   LIG    1       -3.396  -2.155  -2.797  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -5.409  -0.583  -1.128  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -2.236   0.251   0.258  0.00  0.00    +0.118 A 
ATOM     12  C   LIG    1       -5.819   0.301  -0.104  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        0.107  -0.347  -0.207  0.00  0.00    -0.000 A 
ATOM     14  C   LIG    1        0.987   0.039  -1.225  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.365   0.121  -0.989  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        2.903  -0.189   0.269  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1        2.008  -0.572   1.285  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        0.631  -0.653   1.052  0.00  0.00    +0.010 A 
BRANCH  16  19
ATOM     19  C   LIG    1        4.398  -0.104   0.576  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1        5.310  -0.094  -0.658  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        4.695   1.127   1.439  0.00  0.00    +0.046 C 
BRANCH  19  22
ATOM     22  O   LIG    1        4.776  -1.262   1.333  0.00  0.00    -0.385 OA
ATOM     23  H   LIG    1        4.348  -2.028   0.912  0.00  0.00    +0.211 HD
ENDBRANCH  19  22
ENDBRANCH  16  19
ENDBRANCH   8  13
TORSDOF 3