REMARK  Name = BDB058680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.762   0.659   1.052  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1       -0.625   0.368  -0.312  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        0.637  -0.017  -0.807  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        1.123  -0.439  -2.055  0.00  0.00    +0.143 A 
ATOM      5  N   LIG    1        2.414  -0.753  -2.026  0.00  0.00    -0.174 NA
ATOM      6  N   LIG    1        2.826  -0.418  -0.770  0.00  0.00    -0.232 N 
ATOM      7  C   LIG    1        1.745  -0.061   0.043  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        1.605   0.199   1.418  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        0.344   0.572   1.900  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.223  -0.461  -0.472  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1        4.775   0.236   0.610  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        6.152   0.171   0.865  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        6.992  -0.580   0.036  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1        6.450  -1.256  -1.061  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        5.077  -1.190  -1.318  0.00  0.00    +0.028 A 
BRANCH  13  16
ATOM     16  C   LIG    1        8.454  -0.674   0.271  0.00  0.00    +0.337 C 
ATOM     17  O   LIG    1        9.246  -1.301  -0.408  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1        8.854   0.021   1.350  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1        9.822  -0.130   1.378  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  C   LIG    1       -2.067   1.067   1.641  0.00  0.00    +0.195 C 
ATOM     21  O   LIG    1       -2.124   1.628   2.730  0.00  0.00    -0.287 OA
BRANCH  20  28
ATOM     22  C   LIG    1       -5.308  -2.303  -0.088  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -4.950  -0.859   0.145  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1       -5.852   0.181  -0.175  0.00  0.00    -0.045 A 
ATOM     25  C   LIG    1       -7.199  -0.110  -0.780  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -5.486   1.514   0.074  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1       -4.237   1.802   0.639  0.00  0.00    +0.137 A 
ATOM     28  C   LIG    1       -3.341   0.784   0.958  0.00  0.00    +0.053 A 
ATOM     29  C   LIG    1       -3.705  -0.547   0.721  0.00  0.00    +0.017 A 
BRANCH  27  30
ATOM     30  N   LIG    1       -3.866   3.193   0.812  0.00  0.00    +0.057 N 
ATOM     31  O   LIG    1       -4.676   3.928   1.393  0.00  0.00    -0.126 OA
ATOM     32  O   LIG    1       -2.803   3.558   0.290  0.00  0.00    -0.126 OA
ENDBRANCH  27  30
ENDBRANCH  20  28
ENDBRANCH   1  20
TORSDOF 6