REMARK  Name = BDB016244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.524   1.343  -1.958  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.993   0.349  -0.922  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.572   0.593  -0.748  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -2.273   1.560  -0.844  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.781  -0.153   0.126  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1       -2.220  -1.163   1.006  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -1.268  -1.943   1.686  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        0.099  -1.713   1.538  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        0.550  -0.707   0.697  0.00  0.00    +0.123 A 
ATOM     10  N   LIG    1       -3.557  -1.474   1.330  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -3.711  -2.293   1.905  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.718  -0.802   1.114  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.767  -1.272   1.562  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.386   0.054  -0.004  0.00  0.00    +0.070 A 
ATOM     15  C   LIG    1       -4.715   0.512   0.397  0.00  0.00    +0.118 C 
ENDROOT
BRANCH   9  16
ATOM     16  O   LIG    1        1.909  -0.580   0.635  0.00  0.00    -0.487 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.433   0.423  -0.231  0.00  0.00    +0.264 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.938   0.391  -0.130  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1        4.599   1.108   0.878  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        5.990   1.068   0.979  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        6.734   0.305   0.081  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.087  -0.424  -0.916  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.696  -0.386  -1.019  0.00  0.00    +0.007 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   9  16
TORSDOF 3