REMARK  Name = BDB058352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.455   4.677   3.042  0.00  0.00    +0.116 A 
ATOM      2  C   LIG    1       -0.722   3.414   2.563  0.00  0.00    +0.177 A 
ATOM      3  N   LIG    1        0.528   2.834   2.316  0.00  0.00    -0.199 N 
ATOM      4  C   LIG    1        0.634   1.499   1.878  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        1.905   0.989   1.626  0.00  0.00    -0.299 N 
ATOM      6  H   LIG    1        2.643   1.657   1.866  0.00  0.00    +0.154 HD
ATOM      7  C   LIG    1        2.277   0.117   0.570  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        3.543  -0.482   0.629  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        3.948  -1.404  -0.343  0.00  0.00    -0.020 A 
ATOM     10  C   LIG    1        5.340  -1.973  -0.347  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1        5.371  -3.358  -0.972  0.00  0.00    +0.101 C 
ATOM     12  C   LIG    1        4.622  -3.405  -2.284  0.00  0.00    +0.218 C 
ATOM     13  O   LIG    1        4.952  -4.155  -3.200  0.00  0.00    -0.275 OA
ATOM     14  N   LIG    1        3.487  -2.648  -2.360  0.00  0.00    -0.282 N 
ATOM     15  H   LIG    1        2.898  -2.777  -3.175  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        3.073  -1.730  -1.385  0.00  0.00    +0.079 A 
ATOM     17  C   LIG    1        1.804  -1.141  -1.481  0.00  0.00    +0.144 A 
ATOM     18  O   LIG    1        1.052  -1.530  -2.561  0.00  0.00    -0.486 OA
ATOM     19  C   LIG    1       -0.342  -1.213  -2.635  0.00  0.00    +0.256 C 
ATOM     20  C   LIG    1       -1.156  -2.271  -1.941  0.00  0.00    +0.011 C 
ATOM     21  C   LIG    1       -2.498  -2.332  -1.847  0.00  0.00    -0.000 C 
ATOM     22  C   LIG    1       -3.508  -1.358  -2.382  0.00  0.00    +0.187 C 
ATOM     23  O   LIG    1       -4.428  -0.983  -1.348  0.00  0.00    -0.371 OA
ATOM     24  C   LIG    1       -4.005   0.150  -0.598  0.00  0.00    +0.137 C 
ATOM     25  C   LIG    1       -2.858  -0.155   0.362  0.00  0.00    +0.138 C 
ATOM     26  N   LIG    1       -2.949   0.863   1.413  0.00  0.00    -0.312 N 
ATOM     27  C   LIG    1       -4.262   1.514   1.332  0.00  0.00    +0.109 C 
ATOM     28  C   LIG    1       -1.816   1.523   1.864  0.00  0.00    +0.127 A 
ATOM     29  C   LIG    1       -5.070   0.626   0.380  0.00  0.00    +0.052 C 
ATOM     30  C   LIG    1        1.424  -0.219  -0.502  0.00  0.00    +0.070 A 
ATOM     31  C   LIG    1       -0.503   0.794   1.787  0.00  0.00    +0.087 A 
ATOM     32  N   LIG    1        1.552   3.704   2.572  0.00  0.00    -0.170 NA
ATOM     33  N   LIG    1       -1.894   2.760   2.293  0.00  0.00    -0.212 NA
ATOM     34  C   LIG    1        0.941   4.800   3.026  0.00  0.00    +0.156 A 
ENDROOT
BRANCH   1  36
ATOM     35  N   LIG    1       -2.148   6.481   3.781  0.00  0.00    -0.191 NA
ATOM     36  C   LIG    1       -1.407   5.654   3.442  0.00  0.00    +0.104 C 
ENDBRANCH   1  36
TORSDOF 1