REMARK  Name = BDB051256
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.355  -1.607  -0.362  0.00  0.00    +0.150 A 
ATOM      2  N   LIG    1        0.857  -0.359  -0.256  0.00  0.00    -0.160 NA
ATOM      3  N   LIG    1        2.192  -0.532  -0.205  0.00  0.00    -0.215 N 
ATOM      4  C   LIG    1        2.565  -1.849  -0.277  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        3.887  -2.228  -0.238  0.00  0.00    -0.307 N 
ATOM      6  H   LIG    1        4.160  -3.202  -0.295  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        4.890  -1.284  -0.122  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1        4.478   0.151  -0.044  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1        5.447   1.152   0.072  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        5.057   2.492   0.142  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.702   2.838   0.096  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        2.725   1.848  -0.020  0.00  0.00    +0.028 A 
ATOM     13  O   LIG    1        6.071  -1.609  -0.083  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        3.123   0.510  -0.088  0.00  0.00    +0.080 A 
ATOM     15  C   LIG    1        1.409  -2.573  -0.388  0.00  0.00    +0.081 A 
ENDROOT
BRANCH   1  21
ATOM     16  C   LIG    1       -5.469   1.256   0.821  0.00  0.00    +0.105 C 
ATOM     17  N   LIG    1       -4.202   1.066   0.120  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1       -4.272  -0.034  -0.863  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1       -3.456  -1.291  -0.507  0.00  0.00    +0.123 C 
ATOM     20  N   LIG    1       -2.058  -0.976  -0.216  0.00  0.00    -0.294 N 
ATOM     21  C   LIG    1       -1.084  -1.939  -0.489  0.00  0.00    +0.267 C 
ATOM     22  O   LIG    1       -1.409  -3.076  -0.841  0.00  0.00    -0.268 OA
ATOM     23  C   LIG    1       -1.817   0.316   0.437  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1       -3.093   0.895   1.077  0.00  0.00    +0.103 C 
ENDBRANCH   1  21
TORSDOF 1