REMARK  Name = BDB036808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.066  -0.182   1.347  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1        0.295  -0.338   1.311  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1        0.691  -0.521   2.227  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -1.676  -0.208   2.409  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.189  -0.190   0.165  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1        2.385  -1.129   0.345  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        2.301  -2.348   0.201  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        3.549  -0.564   0.810  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        4.314  -1.204   0.974  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        3.742   0.718   1.258  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        4.793   1.044   1.802  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        2.580   1.670   1.115  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        1.656   1.252  -0.019  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  16
ATOM     14  C   LIG    1       -1.762  -2.454  -0.427  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -2.121  -1.035  -0.766  0.00  0.00    -0.038 A 
ATOM     16  C   LIG    1       -1.794   0.037   0.083  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -2.171   1.349  -0.229  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -2.844   1.609  -1.421  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -3.144   0.562  -2.291  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -2.788  -0.750  -1.967  0.00  0.00    +0.004 A 
ENDBRANCH   1  16
TORSDOF 2