REMARK  Name = BDB004102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.971  -1.279  -1.231  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.009  -0.558  -0.962  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -1.854  -0.700  -1.675  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -2.030  -1.509  -2.265  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -0.642  -0.906  -1.058  0.00  0.00    +0.244 C 
ATOM      6  O   LIG    1       -0.124  -2.021  -1.131  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1        0.061   0.343  -0.491  0.00  0.00    +0.197 C 
ATOM      8  C   LIG    1       -0.703   1.168   0.545  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1       -2.098   1.586   0.095  0.00  0.00    +0.012 C 
ATOM     10  C   LIG    1       -3.075   0.425   0.179  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1        1.406  -0.025  -0.016  0.00  0.00    -0.216 N 
ATOM     12  C   LIG    1        1.560  -0.840   1.103  0.00  0.00    +0.268 A 
ATOM     13  O   LIG    1        0.642  -1.268   1.798  0.00  0.00    -0.266 OA
ATOM     14  C   LIG    1        2.950  -1.194   1.460  0.00  0.00    +0.075 A 
ATOM     15  C   LIG    1        3.979  -0.723   0.756  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        3.665   0.163  -0.377  0.00  0.00    +0.150 A 
ATOM     17 CL   LIG    1        4.950   0.833  -1.310  0.00  0.00    -0.060 Cl
ATOM     18  N   LIG    1        2.467   0.496  -0.740  0.00  0.00    -0.156 NA
ENDBRANCH   7  11
TORSDOF 1