REMARK  Name = BDB036871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.634   0.872  -0.191  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1        0.546   0.202  -0.528  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.637  -1.251  -0.662  0.00  0.00    +0.133 C 
ATOM      4  O   LIG    1       -0.725   2.095  -0.125  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.686   1.042  -0.946  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1        2.712   0.339  -1.850  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        2.450  -0.038  -2.992  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        3.920   0.015  -1.280  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        4.549  -0.512  -1.872  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        4.218  -0.015   0.058  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        5.198  -0.630   0.471  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        3.244   0.663   0.989  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        2.399   1.686   0.251  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  16
ATOM     14  C   LIG    1       -2.455   0.143  -2.359  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -2.714  -0.283  -0.941  0.00  0.00    -0.038 A 
ATOM     16  C   LIG    1       -1.843   0.073   0.109  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1       -2.110  -0.297   1.443  0.00  0.00    -0.038 A 
ATOM     18  C   LIG    1       -1.203   0.113   2.569  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -3.252  -1.063   1.709  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -4.109  -1.441   0.674  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -3.845  -1.052  -0.640  0.00  0.00    +0.004 A 
ENDBRANCH   1  16
TORSDOF 2