REMARK  Name = BDB012045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.312  -0.320   0.428  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1        0.176   1.015   0.023  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -1.024   1.714   0.075  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -0.868   2.997  -0.387  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1        0.399   3.091  -0.722  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1       -2.174   1.074   0.558  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -2.084  -0.265   0.971  0.00  0.00    -0.010 A 
ATOM      8  N   LIG    1        1.070   1.924  -0.487  0.00  0.00    -0.341 N 
ATOM      9  H   LIG    1        2.049   1.757  -0.668  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -0.857  -0.943   0.903  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        2.063  -0.415   2.793  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        2.454  -1.049   1.482  0.00  0.00    -0.042 A 
ATOM     13  C   LIG    1        1.606  -1.010   0.350  0.00  0.00    -0.004 A 
ATOM     14  C   LIG    1        2.028  -1.633  -0.869  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        3.285  -2.273  -0.936  0.00  0.00    +0.072 A 
ATOM     16  N   LIG    1        3.751  -2.869  -2.047  0.00  0.00    -0.255 NA
ATOM     17  C   LIG    1        2.975  -2.864  -3.150  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        1.730  -2.276  -3.204  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        4.086  -2.292   0.192  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        1.256  -1.656  -2.053  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        3.689  -1.696   1.389  0.00  0.00    +0.006 A 
ENDBRANCH   1  13
BRANCH   7  22
ATOM     22  C   LIG    1       -3.254  -0.950   1.479  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -4.442  -1.099   0.798  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1       -4.944  -0.685  -0.527  0.00  0.00    +0.090 C 
ATOM     25  O   LIG    1       -5.313  -1.807   1.568  0.00  0.00    -0.359 OA
ATOM     26  N   LIG    1       -4.709  -2.143   2.764  0.00  0.00    -0.083 NA
ATOM     27  C   LIG    1       -3.476  -1.626   2.709  0.00  0.00    +0.088 A 
ATOM     28  C   LIG    1       -2.550  -1.797   3.853  0.00  0.00    +0.070 C 
ENDBRANCH   7  22
BRANCH   5  29
ATOM     29  C   LIG    1        1.045   4.376  -1.301  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        0.380   5.053  -2.471  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1        1.681   4.329  -2.666  0.00  0.00    +0.012 C 
ENDBRANCH   5  29
TORSDOF 3