REMARK  Name = BDB016288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.891  -2.674   1.308  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        2.410  -1.361   0.711  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1        1.265  -0.506   0.437  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1        0.453  -1.044   0.128  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1        1.428   0.617  -0.403  0.00  0.00    +0.058 A 
ATOM      6  C   LIG    1        2.638   1.326  -0.591  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        2.666   2.427  -1.473  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        1.522   2.876  -2.127  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        0.315   2.238  -1.899  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1        3.886   1.063   0.011  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        4.667   1.629  -0.298  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1        4.281   0.218   0.995  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1        5.471   0.229   1.328  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        0.251   1.134  -1.036  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        3.305  -0.660   1.707  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -1.073   0.524  -0.832  0.00  0.00    +0.052 A 
ATOM     17  N   LIG    1       -1.783   0.566   0.353  0.00  0.00    -0.343 N 
ATOM     18  C   LIG    1       -1.367   1.245   1.563  0.00  0.00    +0.149 C 
ATOM     19  C   LIG    1       -2.964  -0.145   0.231  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1       -3.028  -0.611  -1.083  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.145  -1.366  -1.490  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -5.164  -1.637  -0.571  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.081  -1.168   0.736  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.982  -0.415   1.162  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1       -1.847  -0.178  -1.739  0.00  0.00    +0.036 A 
ENDBRANCH  14  16
TORSDOF 1