REMARK  Name = BDB038881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.790  -1.195  -0.348  0.00  0.00    +0.096 A 
ATOM      2  C   LIG    1       -3.501  -0.081   0.114  0.00  0.00    +0.074 A 
ATOM      3  N   LIG    1       -3.061   1.125   0.617  0.00  0.00    -0.352 N 
ATOM      4  H   LIG    1       -2.089   1.373   0.738  0.00  0.00    +0.166 HD
ATOM      5  C   LIG    1       -4.116   1.941   0.947  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -5.282   1.231   0.668  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -6.524   1.849   0.926  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -6.551   3.146   1.452  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -5.367   3.828   1.721  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.124   3.238   1.473  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -4.894  -0.049   0.159  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -5.604  -1.183  -0.266  0.00  0.00    +0.045 A 
ATOM     13  CA  LIG    1       -4.852  -2.274  -0.688  0.00  0.00    +0.149 A 
ATOM     14  N   LIG    1       -3.495  -2.292  -0.725  0.00  0.00    -0.238 NA
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        1.486  -1.422  -0.583  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        0.758  -2.446   0.021  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1       -0.637  -2.367   0.088  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -1.331  -1.262  -0.435  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -0.579  -0.248  -1.056  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        0.817  -0.324  -1.126  0.00  0.00    +0.017 A 
BRANCH  15  22
ATOM     21  C   LIG    1        4.110  -1.564  -0.716  0.00  0.00    -0.069 C 
ATOM     22  C   LIG    1        2.912  -1.500  -0.656  0.00  0.00    -0.064 C 
BRANCH  21  23
ATOM     23  C   LIG    1        5.572  -1.638  -0.791  0.00  0.00    +0.248 C 
BRANCH  23  24
ATOM     24  O   LIG    1        6.166  -1.219   0.440  0.00  0.00    -0.365 OA
BRANCH  24  25
ATOM     25  C   LIG    1        6.274   0.200   0.568  0.00  0.00    +0.189 C 
BRANCH  25  26
ATOM     26  C   LIG    1        7.569   0.721  -0.054  0.00  0.00    +0.187 C 
BRANCH  26  28
ATOM     27  C   LIG    1        8.850   2.668  -0.404  0.00  0.00    +0.194 C 
ATOM     28  O   LIG    1        7.636   2.137   0.112  0.00  0.00    -0.381 OA
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  15  22
ENDBRANCH   1  18
BRANCH  13  29
ATOM     29  C   LIG    1       -5.518  -3.538  -1.138  0.00  0.00    +0.355 C 
ATOM     30  O   LIG    1       -4.977  -4.573  -1.484  0.00  0.00    -0.243 OA
BRANCH  29  31
ATOM     31  OXT LIG    1       -6.867  -3.454  -1.134  0.00  0.00    -0.476 OA
ATOM     32  HXT LIG    1       -7.141  -4.343  -1.446  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  13  29
TORSDOF 9