REMARK  Name = BDB032015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.749  -0.867  -1.536  0.00  0.00    -0.273 N 
ATOM      2  C   LIG    1       -1.594  -0.792  -2.331  0.00  0.00    +0.167 A 
ATOM      3  C   LIG    1       -1.968  -1.057  -3.628  0.00  0.00    +0.107 A 
ATOM      4  C   LIG    1       -0.992  -1.016  -4.570  0.00  0.00    +0.144 A 
ATOM      5  N   LIG    1        0.283  -0.725  -4.231  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        0.564  -0.487  -2.924  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1       -3.341  -1.289  -3.675  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -4.107  -1.528  -4.864  0.00  0.00    +0.154 C 
ATOM      9  N   LIG    1       -0.355  -0.498  -1.940  0.00  0.00    -0.195 NA
ATOM     10  C   LIG    1       -3.857  -1.132  -2.373  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1       -5.029  -1.194  -2.042  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   1  17
ATOM     12  C   LIG    1       -2.747   1.818   4.385  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -1.842   0.776   3.773  0.00  0.00    +0.212 C 
ATOM     14  N   LIG    1       -1.990   0.546   2.410  0.00  0.00    -0.302 N 
ATOM     15  C   LIG    1       -2.854   1.353   1.551  0.00  0.00    +0.110 C 
ATOM     16  C   LIG    1       -2.721   1.008   0.071  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -2.836  -0.507  -0.133  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -1.892  -1.309   0.782  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -1.117  -0.423   1.754  0.00  0.00    +0.110 C 
ATOM     20  O   LIG    1       -1.029   0.178   4.477  0.00  0.00    -0.276 OA
ENDBRANCH   1  17
BRANCH   6  21
ATOM     21  N   LIG    1        1.897  -0.175  -2.662  0.00  0.00    -0.283 N 
ATOM     22  H   LIG    1        2.411  -0.133  -3.530  0.00  0.00    +0.155 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.629  -0.071  -1.472  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        3.832   0.660  -1.438  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1        4.412   1.289  -2.675  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1        4.506   0.828  -0.213  0.00  0.00    +0.035 A 
ATOM     27  C   LIG    1        4.015   0.308   0.977  0.00  0.00    +0.090 A 
ATOM     28  C   LIG    1        2.814  -0.429   0.945  0.00  0.00    +0.091 A 
ATOM     29  N   LIG    1        2.283  -0.956   2.063  0.00  0.00    -0.252 NA
ATOM     30  C   LIG    1        2.946  -0.716   3.215  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1        4.127   0.006   3.258  0.00  0.00    +0.057 A 
ATOM     32  C   LIG    1        4.828   0.246   4.557  0.00  0.00    +0.067 C 
ATOM     33  N   LIG    1        4.678   0.520   2.131  0.00  0.00    -0.249 NA
ATOM     34  C   LIG    1        2.156  -0.602  -0.265  0.00  0.00    +0.053 A 
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 3