REMARK  Name = BDB031599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.837  -0.083  -0.844  0.00  0.00    -0.303 N 
ATOM      2  H   LIG    1       -0.313   0.606  -1.373  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.261  -1.290  -0.530  0.00  0.00    +0.221 C 
ATOM      4  O   LIG    1       -0.930  -2.201  -0.042  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.226  -1.449  -0.902  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1        2.096  -0.292  -0.438  0.00  0.00    -0.015 A 
ATOM      7  C   LIG    1        2.768  -0.371   0.794  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        3.551   0.716   1.206  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        3.648   1.871   0.430  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        2.992   1.942  -0.794  0.00  0.00    +0.000 A 
ATOM     11  N   LIG    1        2.830  -1.558   1.529  0.00  0.00    -0.344 N 
ATOM     12  H   LIG    1        2.946  -1.409   2.528  0.00  0.00    +0.146 HD
ATOM     13  C   LIG    1        1.915  -2.637   1.187  0.00  0.00    +0.102 C 
ATOM     14  C   LIG    1        2.229   0.862  -1.233  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        1.776  -2.761  -0.326  0.00  0.00    +0.036 C 
ENDBRANCH   3   5
BRANCH   1  22
ATOM     16  O   LIG    1       -5.338   2.695   0.450  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -4.467   1.898   0.114  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1       -3.831   2.018  -1.096  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -4.070   2.849  -1.619  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -2.638   1.430  -1.438  0.00  0.00    +0.240 C 
ATOM     21  O   LIG    1       -1.940   1.888  -2.342  0.00  0.00    -0.273 OA
ATOM     22  C   LIG    1       -2.251   0.184  -0.635  0.00  0.00    +0.160 C 
ATOM     23  C   LIG    1       -2.580   0.420   0.835  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -4.062   0.727   0.979  0.00  0.00    +0.098 C 
ENDBRANCH   1  22
TORSDOF 2