REMARK  Name = BDB016367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.792   0.410   1.997  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.445   1.303   0.808  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.394   0.737  -0.017  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.484   0.793   0.438  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.527  -0.421  -0.792  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.753  -0.980  -1.226  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.748  -2.166  -1.992  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.567  -2.781  -2.387  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.357  -2.214  -2.026  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -5.052  -0.498  -0.969  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.822  -1.088  -1.261  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.522   0.649  -0.426  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.746   0.780  -0.315  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.313  -1.042  -1.247  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -4.606   1.760  -0.038  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.023  -0.501  -0.920  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1        0.855  -1.154   0.005  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        2.119  -0.645   0.320  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        2.574   0.527  -0.296  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        1.748   1.195  -1.206  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        0.487   0.680  -1.520  0.00  0.00    +0.009 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.907   1.113   0.012  0.00  0.00    +0.244 C 
ATOM     23  N   LIG    1        4.903   0.213   0.345  0.00  0.00    -0.308 N 
ATOM     24  H   LIG    1        4.739  -0.776   0.205  0.00  0.00    +0.149 HD
ATOM     25  O   LIG    1        4.076   2.325  -0.068  0.00  0.00    -0.270 OA
BRANCH  23  26
ATOM     26  C   LIG    1        6.240   0.635   0.620  0.00  0.00    +0.073 C 
ATOM     27  C   LIG    1        6.702   0.814   2.039  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1        7.237  -0.320   1.216  0.00  0.00    +0.024 C 
ENDBRANCH  23  26
ENDBRANCH  19  22
ENDBRANCH  14  16
TORSDOF 3