REMARK  Name = BDB012314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.344  -0.363  -2.208  0.00  0.00    +0.076 A 
ATOM      2  N   LIG    1       -1.694  -0.363  -1.854  0.00  0.00    -0.214 N 
ATOM      3  N   LIG    1       -2.490  -0.559  -2.951  0.00  0.00    -0.173 NA
ATOM      4  C   LIG    1       -1.643  -0.688  -3.969  0.00  0.00    +0.135 A 
ATOM      5  C   LIG    1       -0.307  -0.578  -3.573  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        3.042   0.189   0.415  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        2.552  -1.087   0.083  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        1.445  -1.273  -0.759  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        0.786  -0.175  -1.308  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.260   1.102  -1.020  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        2.368   1.274  -0.176  0.00  0.00    +0.024 A 
BRANCH   6  13
ATOM     12  C   LIG    1        4.431   1.697   1.785  0.00  0.00    +0.129 C 
ATOM     13  N   LIG    1        4.158   0.367   1.243  0.00  0.00    -0.336 N 
ATOM     14  C   LIG    1        4.611  -0.754   2.066  0.00  0.00    +0.129 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  15
ATOM     15  C   LIG    1       -2.284  -0.194  -0.555  0.00  0.00    +0.155 A 
ATOM     16  N   LIG    1       -1.479  -0.009   0.523  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1       -2.054   0.146   1.733  0.00  0.00    +0.114 A 
ATOM     18  C   LIG    1       -3.418   0.128   1.938  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -4.239  -0.062   0.829  0.00  0.00    +0.064 A 
ATOM     20  C   LIG    1       -3.671  -0.226  -0.437  0.00  0.00    +0.063 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -5.714  -0.097   0.948  0.00  0.00    +0.337 C 
ATOM     22  O   LIG    1       -6.502  -0.257   0.035  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -6.137   0.071   2.213  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1       -7.114   0.026   2.140  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   2  15
TORSDOF 5