REMARK  Name = BDB048462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.340   0.915  -0.438  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1       -1.486   0.170  -0.008  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.558   1.044  -0.145  0.00  0.00    +0.066 A 
ATOM      4  C   LIG    1       -3.875   0.702   0.180  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -4.098  -0.593   0.657  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -3.049  -1.500   0.794  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -2.018   2.197  -0.639  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1       -2.504   3.056  -0.867  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -1.738  -1.135   0.463  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1       -0.693   2.148  -0.842  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        2.964  -0.639   0.538  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        1.623  -0.244   0.571  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        1.057   0.485  -0.485  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.850   0.800  -1.595  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        3.170   0.357  -1.665  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        3.714  -0.380  -0.612  0.00  0.00    +0.023 A 
BRANCH  11  17
ATOM     17  N   LIG    1        3.480  -1.467   1.544  0.00  0.00    -0.358 N 
ATOM     18  H   LIG    1        3.035  -1.336   2.447  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        4.493  -1.441   1.611  0.00  0.00    +0.142 HD
ENDBRANCH  11  17
ENDBRANCH   1  13
TORSDOF 2