REMARK  Name = BDB014250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.837  -0.114   1.403  0.00  0.00    +0.056 A 
ATOM      2  N   LIG    1        1.374  -0.351   0.158  0.00  0.00    -0.353 N 
ATOM      3  H   LIG    1        0.864  -0.281  -0.716  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        2.700  -0.696   0.258  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1        3.016  -0.677   1.612  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1        4.249  -0.969   2.090  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        5.166  -1.284   1.151  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        4.938  -1.327  -0.215  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        3.664  -1.024  -0.698  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        1.849  -0.313   2.324  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        3.406  -1.065  -2.148  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1        4.225  -1.348  -3.003  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1        2.138  -0.753  -2.474  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1        2.134  -0.826  -3.453  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
BRANCH   1  15
ATOM     15  C   LIG    1       -0.591   0.280   1.596  0.00  0.00    +0.282 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -1.189   0.342   0.303  0.00  0.00    -0.486 OA
BRANCH  16  19
ATOM     17  C   LIG    1       -2.217   0.421  -2.266  0.00  0.00    +0.047 C 
ATOM     18  C   LIG    1       -3.061   0.736  -1.062  0.00  0.00    -0.009 A 
ATOM     19  C   LIG    1       -2.513   0.689   0.234  0.00  0.00    +0.124 A 
ATOM     20  C   LIG    1       -3.322   0.987   1.335  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -4.664   1.330   1.154  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -5.207   1.378  -0.126  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.410   1.083  -1.230  0.00  0.00    +0.007 A 
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5