REMARK  Name = BDB057101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.354   0.657  -0.203  0.00  0.00    +0.102 A 
ATOM      2  C   LIG    1       -4.556   0.321  -1.627  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -3.710   0.941  -2.543  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.827   0.670  -3.914  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -4.811  -0.205  -4.372  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -5.686  -0.796  -3.464  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.713   1.922  -2.074  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1       -1.953   2.444  -2.887  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -2.725   2.211  -0.714  0.00  0.00    -0.224 N 
ATOM     10  C   LIG    1       -5.567  -0.529  -2.097  0.00  0.00    +0.011 A 
ATOM     11  N   LIG    1       -3.520   1.565   0.203  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -6.450  -2.748   2.787  0.00  0.00    +0.172 C 
ATOM     13  N   LIG    1       -5.986  -1.518   2.192  0.00  0.00    -0.274 N 
ATOM     14  N   LIG    1       -6.184  -0.357   2.837  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1       -5.597   0.544   2.046  0.00  0.00    +0.144 A 
ATOM     16  C   LIG    1       -5.072  -0.022   0.859  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -5.327  -1.374   1.005  0.00  0.00    +0.118 A 
ENDBRANCH   1  16
BRANCH   9  18
ATOM     18  C   LIG    1       -1.748   3.150  -0.172  0.00  0.00    +0.182 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.461   2.464   0.231  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1        0.625   2.412  -0.655  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        1.809   1.763  -0.292  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        1.912   1.141   0.958  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        0.834   1.196   1.849  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -0.348   1.845   1.483  0.00  0.00    +0.006 A 
BRANCH  22  25
ATOM     25  C   LIG    1        3.148   0.433   1.391  0.00  0.00    +0.244 C 
ATOM     26  N   LIG    1        3.894  -0.164   0.395  0.00  0.00    -0.308 N 
ATOM     27  H   LIG    1        3.577  -0.121  -0.563  0.00  0.00    +0.149 HD
ATOM     28  O   LIG    1        3.443   0.382   2.580  0.00  0.00    -0.270 OA
BRANCH  26  29
ATOM     29  C   LIG    1        5.159  -0.825   0.678  0.00  0.00    +0.073 C 
ATOM     30  C   LIG    1        5.495  -1.842  -0.414  0.00  0.00    +0.022 C 
ATOM     31  C   LIG    1        6.769  -2.626  -0.091  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1        7.773  -1.840   0.755  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1        7.676  -0.343   0.502  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1        6.289   0.207   0.842  0.00  0.00    +0.022 C 
ENDBRANCH  26  29
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 5