REMARK  Name = BDB052525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.356   0.202  -0.674  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        1.898  -0.417  -1.886  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        0.528  -0.791  -1.989  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1        0.058  -1.404  -3.173  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        0.900  -1.656  -4.252  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.235  -1.296  -4.170  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.335  -0.553  -0.900  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        0.120   0.059   0.266  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        2.724  -0.689  -3.011  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        1.458   0.419   0.379  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        5.692   1.345   0.255  0.00  0.00    -0.299 N 
ATOM     12  H   LIG    1        6.073   0.488  -0.121  0.00  0.00    +0.150 HD
ATOM     13  C   LIG    1        4.321   1.304   0.453  0.00  0.00    +0.304 C 
ATOM     14  N   LIG    1        3.721   0.569  -0.547  0.00  0.00    -0.269 N 
ATOM     15  H   LIG    1        4.313   0.424  -1.346  0.00  0.00    +0.156 HD
ATOM     16  O   LIG    1        3.775   1.872   1.388  0.00  0.00    -0.253 OA
BRANCH  11  18
ATOM     17  C   LIG    1        7.937   2.207   0.706  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        6.525   2.026   1.226  0.00  0.00    +0.102 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   7  19
ATOM     19  O   LIG    1       -1.681  -0.844  -1.009  0.00  0.00    -0.437 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -2.121  -1.869  -0.184  0.00  0.00    +0.230 A 
ATOM     21  C   LIG    1       -3.220  -1.634   0.652  0.00  0.00    +0.062 A 
ATOM     22  C   LIG    1       -3.600  -2.710   1.471  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1       -2.927  -3.929   1.408  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1       -1.876  -4.051   0.518  0.00  0.00    +0.114 A 
ATOM     25  N   LIG    1       -1.466  -3.055  -0.289  0.00  0.00    -0.220 NA
BRANCH  21  26
ATOM     26  C   LIG    1       -3.933  -0.350   0.727  0.00  0.00    +0.081 A 
ATOM     27  N   LIG    1       -4.235   0.066   1.980  0.00  0.00    -0.214 NA
ATOM     28  C   LIG    1       -4.870   1.237   2.118  0.00  0.00    +0.215 A 
ATOM     29  N   LIG    1       -5.253   2.003   1.090  0.00  0.00    -0.223 NA
ATOM     30  C   LIG    1       -4.953   1.562  -0.141  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1       -4.296   0.382  -0.384  0.00  0.00    +0.048 A 
BRANCH  28  32
ATOM     32  N   LIG    1       -5.124   1.627   3.425  0.00  0.00    -0.317 N 
ATOM     33  H   LIG    1       -5.029   0.796   3.997  0.00  0.00    +0.149 HD
ATOM     34  C   LIG    1       -6.338   2.387   3.607  0.00  0.00    +0.128 C 
ENDBRANCH  28  32
ENDBRANCH  21  26
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 6