REMARK  Name = BDB000104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.362   0.523   1.219  0.00  0.00    +0.249 C 
ATOM      2  N   LIG    1        0.193   0.119   0.594  0.00  0.00    -0.266 N 
ATOM      3  H   LIG    1        0.218  -0.278  -0.336  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        1.410   1.110   2.297  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.041   0.321   1.177  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -2.298   0.033   0.730  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -3.032  -0.546  -0.398  0.00  0.00    +0.148 C 
ATOM      8  N   LIG    1       -4.431  -0.413   0.073  0.00  0.00    -0.291 N 
ATOM      9  C   LIG    1       -4.573   0.215   1.418  0.00  0.00    +0.165 C 
ATOM     10  C   LIG    1       -5.462  -0.855  -0.717  0.00  0.00    +0.213 C 
ATOM     11  O   LIG    1       -5.270  -1.366  -1.819  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1       -6.854  -0.683  -0.167  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -3.159   0.456   1.740  0.00  0.00    +0.087 A 
ATOM     14  N   LIG    1       -2.544   0.989   2.789  0.00  0.00    -0.175 NA
ATOM     15  N   LIG    1       -1.236   0.898   2.421  0.00  0.00    -0.263 N 
ATOM     16  H   LIG    1       -0.508   1.245   3.042  0.00  0.00    +0.190 HD
ENDBRANCH   2   5
BRANCH   1  20
ATOM     17  C   LIG    1        5.053  -0.231  -0.852  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1        4.916   0.875  -0.013  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        3.709   1.104   0.657  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        2.625   0.234   0.484  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        2.766  -0.885  -0.344  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        3.975  -1.107  -1.009  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1        7.303   0.279  -1.424  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        6.170  -0.570  -1.562  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH   1  20
TORSDOF 3