REMARK  Name = BDB001104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.225   2.466   0.218  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.648   1.100   0.259  0.00  0.00    +0.073 A 
ATOM      3  C   LIG    1        1.287   0.708   0.119  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1        1.312  -0.674   0.237  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1        0.267  -1.519   0.171  0.00  0.00    -0.232 NA
ATOM      6  C   LIG    1       -0.927  -0.910  -0.038  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -2.110  -1.848  -0.081  0.00  0.00    +0.056 C 
ATOM      8  C   LIG    1       -3.345  -1.242  -0.740  0.00  0.00    +0.006 C 
ATOM      9  C   LIG    1       -3.627   0.130  -0.146  0.00  0.00    +0.005 C 
ATOM     10  C   LIG    1       -2.464   1.081  -0.421  0.00  0.00    +0.040 C 
ATOM     11  C   LIG    1       -1.107   0.477  -0.157  0.00  0.00    +0.016 A 
ATOM     12  N   LIG    1        2.623  -1.010   0.433  0.00  0.00    -0.249 N 
ATOM     13  C   LIG    1        3.157  -2.336   0.612  0.00  0.00    +0.174 C 
ATOM     14  C   LIG    1        0.029   1.297  -0.091  0.00  0.00    +0.134 A 
ATOM     15  N   LIG    1        3.460   0.050   0.450  0.00  0.00    -0.174 NA
ENDROOT
BRANCH  14  16
ATOM     16  O   LIG    1       -0.144   2.655  -0.243  0.00  0.00    -0.506 OA
ATOM     17  H   LIG    1        0.722   3.085  -0.185  0.00  0.00    +0.292 HD
ENDBRANCH  14  16
TORSDOF 1