REMARK  Name = BDB036931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.853   0.124   0.450  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1       -0.817  -0.910  -0.407  0.00  0.00    -0.064 NA
ATOM      3  N   LIG    1        0.454  -1.125  -0.721  0.00  0.00    -0.129 NA
ATOM      4  C   LIG    1        1.219  -0.210  -0.049  0.00  0.00    +0.114 A 
ATOM      5  C   LIG    1        0.398   0.612   0.691  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   1  12
ATOM      6  O   LIG    1       -5.457  -1.557  -0.204  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -4.430  -0.950   0.084  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -3.795  -1.167   1.280  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.231  -1.849   1.886  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -2.772  -0.438   1.837  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -2.427  -0.637   3.001  0.00  0.00    -0.273 OA
ATOM     12  C   LIG    1       -2.113   0.615   0.972  0.00  0.00    +0.195 C 
ATOM     13  C   LIG    1       -3.073   1.154  -0.091  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1       -3.793   0.048  -0.851  0.00  0.00    +0.099 C 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  C   LIG    1        2.661  -0.119  -0.140  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        3.498  -1.232   0.040  0.00  0.00    +0.050 A 
ATOM     17 CL   LIG    1        2.898  -2.802   0.451  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1        4.888  -1.094  -0.073  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        5.453   0.147  -0.364  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        4.633   1.258  -0.542  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.246   1.126  -0.430  0.00  0.00    +0.011 A 
ENDBRANCH   4  15
TORSDOF 2