REMARK  Name = BDB016255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.144  -2.374   0.720  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -2.835  -1.067   0.339  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1       -1.826  -0.230  -0.217  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -2.079   1.114  -0.187  0.00  0.00    +0.157 A 
ATOM      5  C   LIG    1       -3.341   1.720  -0.309  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1       -3.422   3.125  -0.245  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.284   3.917  -0.090  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -1.036   3.316   0.002  0.00  0.00    +0.020 A 
ATOM      9  N   LIG    1       -4.577   1.076  -0.513  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -5.398   1.668  -0.564  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.915  -0.226  -0.695  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1       -6.105  -0.498  -0.880  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -0.929   1.924  -0.050  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1       -3.878  -1.305  -0.728  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        0.380   1.343   0.061  0.00  0.00    -0.062 C 
ATOM     16  C   LIG    1        1.468   0.843   0.155  0.00  0.00    -0.093 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.792   0.207   0.271  0.00  0.00    +0.064 C 
ATOM     18  C   LIG    1        2.651  -1.246   0.762  0.00  0.00    +0.016 C 
ATOM     19  C   LIG    1        3.795  -2.159   0.311  0.00  0.00    +0.001 C 
ATOM     20  C   LIG    1        5.096  -1.391   0.122  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1        4.962  -0.299  -0.940  0.00  0.00    +0.001 C 
ATOM     22  C   LIG    1        3.545   0.270  -1.060  0.00  0.00    +0.016 C 
ENDBRANCH  16  17
ENDBRANCH  13  15
TORSDOF 2