REMARK  Name = BDB036799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.406  -0.230   0.753  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1        0.480   0.245  -0.184  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1        0.135   0.811  -0.955  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -0.078  -0.829   1.768  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.916   0.190   0.028  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1        2.598   1.173  -0.929  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        1.994   2.075  -1.508  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        3.950   1.000  -1.103  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        4.389   1.642  -1.750  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        4.648  -0.159  -0.879  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        5.767  -0.323  -1.356  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        3.983  -1.192   0.000  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        2.477  -1.208  -0.210  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  16
ATOM     14  C   LIG    1       -2.140  -2.490   0.118  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -2.659  -1.079   0.113  0.00  0.00    -0.038 A 
ATOM     16  C   LIG    1       -1.833   0.018   0.436  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1       -2.343   1.334   0.459  0.00  0.00    -0.038 A 
ATOM     18  C   LIG    1       -1.493   2.520   0.821  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -3.687   1.538   0.116  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -4.510   0.460  -0.209  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -4.003  -0.839  -0.202  0.00  0.00    +0.004 A 
ENDBRANCH   1  16
TORSDOF 2