REMARK  Name = BDB001776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.922   0.855   0.109  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.552   0.932   0.398  0.00  0.00    -0.167 N 
ATOM      3  C   LIG    1       -0.109   1.835   1.219  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1       -1.381   1.531   1.265  0.00  0.00    -0.193 NA
ATOM      5  C   LIG    1       -1.499   0.444   0.434  0.00  0.00    +0.185 A 
ATOM      6  N   LIG    1       -0.344   0.046  -0.120  0.00  0.00    -0.141 NA
ATOM      7  O   LIG    1        2.700   1.642   0.639  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -2.778  -0.205   0.193  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -3.940   0.263   0.798  0.00  0.00    +0.122 A 
ATOM     10  N   LIG    1       -5.170  -0.287   0.625  0.00  0.00    -0.263 NA
ATOM     11  C   LIG    1       -5.244  -1.358  -0.194  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1       -4.150  -1.903  -0.845  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -2.901  -1.316  -0.647  0.00  0.00    +0.014 A 
ENDBRANCH   5   8
BRANCH   3  14
ATOM     14  N   LIG    1        0.488   2.860   1.856  0.00  0.00    -0.327 N 
ATOM     15  H   LIG    1        1.506   2.890   1.933  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -0.011   3.309   2.616  0.00  0.00    +0.145 HD
ENDBRANCH   3  14
BRANCH   1  17
ATOM     17  C   LIG    1        2.292  -0.242  -0.868  0.00  0.00    +0.100 C 
BRANCH  17  19
ATOM     18  C   LIG    1        4.555  -0.958   0.037  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1        3.798  -0.326  -1.123  0.00  0.00    +0.006 C 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4