REMARK  Name = BDB031251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.547   0.863  -0.527  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        3.470   0.077  -0.002  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        2.112   0.271  -0.271  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        1.390  -0.692   0.422  0.00  0.00    +0.159 A 
ATOM      5  N   LIG    1        0.064  -0.831   0.415  0.00  0.00    -0.228 NA
ATOM      6  C   LIG    1       -0.606   0.079  -0.348  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1        0.062   1.084  -1.088  0.00  0.00    +0.030 A 
ATOM      8  N   LIG    1        2.294  -1.480   1.118  0.00  0.00    -0.291 N 
ATOM      9  H   LIG    1        2.048  -2.255   1.708  0.00  0.00    +0.172 HD
ATOM     10  C   LIG    1        1.457   1.188  -1.051  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        3.593  -1.022   0.871  0.00  0.00    +0.328 A 
ATOM     12  O   LIG    1        4.617  -1.496   1.332  0.00  0.00    -0.247 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -2.078  -0.063  -0.361  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -2.937   1.047  -0.463  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -4.327   0.893  -0.479  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.890  -0.377  -0.390  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.065  -1.491  -0.279  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -2.676  -1.333  -0.262  0.00  0.00    +0.010 A 
ENDBRANCH   6  13
TORSDOF 1