REMARK  Name = BDB036875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.318  -1.511  -0.032  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.693  -0.206  -0.574  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.245   0.731  -1.013  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1       -0.055   1.858  -1.402  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.020   0.340  -0.237  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -2.069   0.832   1.222  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -1.081   0.970   1.941  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -3.326   1.125   1.702  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -3.358   1.443   2.661  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.518   0.657   1.206  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -5.548   0.723   1.870  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.493   0.087  -0.193  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -3.179  -0.630  -0.469  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1        1.675   0.331  -0.999  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        2.358   0.470   0.148  0.00  0.00    +0.101 A 
ATOM     16  N   LIG    1        3.696   0.112   0.230  0.00  0.00    -0.318 N 
ATOM     17  C   LIG    1        4.381   0.282   1.502  0.00  0.00    +0.152 C 
ATOM     18  C   LIG    1        4.399  -0.395  -0.864  0.00  0.00    +0.251 A 
ATOM     19  O   LIG    1        5.576  -0.743  -0.848  0.00  0.00    -0.268 OA
ATOM     20  C   LIG    1        3.628  -0.512  -2.136  0.00  0.00    +0.071 A 
ATOM     21  C   LIG    1        2.336  -0.160  -2.183  0.00  0.00    +0.020 A 
ENDBRANCH   3  14
TORSDOF 2