REMARK  Name = BDB005554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.782  -0.031  -1.652  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.323  -0.135  -0.804  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        1.626   0.120  -1.267  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        1.772   0.600  -2.576  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1        3.017   1.064  -3.007  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        3.126   1.461  -3.930  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        4.098   1.177  -2.182  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1        3.965   0.608  -0.813  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        5.153   0.746   0.093  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        4.711   0.676   1.552  0.00  0.00    +0.024 C 
ATOM     11  C   LIG    1        3.895  -0.586   1.787  0.00  0.00    +0.105 C 
ATOM     12  N   LIG    1        2.773  -0.716   0.821  0.00  0.00    -0.332 N 
ATOM     13  C   LIG    1        2.249  -2.098   0.845  0.00  0.00    +0.129 C 
ATOM     14  O   LIG    1        5.139   1.700  -2.570  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        0.681   0.697  -3.439  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        2.835  -0.009  -0.405  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -0.590   0.367  -2.976  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  18
ATOM     18  O   LIG    1       -2.086  -0.273  -1.323  0.00  0.00    -0.489 OA
BRANCH  18  23
ATOM     19  C   LIG    1       -5.800   1.019   1.801  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1       -4.868  -0.093   1.617  0.00  0.00    -0.305 NA
ATOM     21  C   LIG    1       -4.926  -0.590   0.234  0.00  0.00    +0.087 C 
ATOM     22  C   LIG    1       -3.735  -1.488  -0.086  0.00  0.00    +0.060 C 
ATOM     23  C   LIG    1       -2.414  -0.708   0.005  0.00  0.00    +0.176 C 
ATOM     24  C   LIG    1       -2.539   0.512   0.927  0.00  0.00    +0.060 C 
ATOM     25  C   LIG    1       -3.512   0.246   2.069  0.00  0.00    +0.087 C 
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 2