REMARK  Name = BDB031337
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.118   0.119   0.953  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1       -1.111  -0.005  -0.002  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -0.818  -0.119  -0.964  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.265   0.420   2.131  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.507   0.108   0.194  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -3.313   0.039  -0.955  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -4.674   0.142  -0.780  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1       -5.251   0.305   0.475  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1       -6.629   0.374   0.309  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -7.327   0.491   1.026  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1       -6.925   0.255  -1.056  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1       -8.030   0.272  -1.567  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1       -4.497   0.373   1.619  0.00  0.00    +0.029 A 
ATOM     14  N   LIG    1       -5.698   0.111  -1.721  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -5.615   0.006  -2.718  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -3.106   0.270   1.466  0.00  0.00    +0.025 A 
ENDBRANCH   2   5
BRANCH   1  20
ATOM     17  C   LIG    1        3.887  -0.398  -0.290  0.00  0.00    +0.125 A 
ATOM     18  N   LIG    1        3.614   0.459   0.734  0.00  0.00    -0.250 NA
ATOM     19  C   LIG    1        2.309   0.575   1.090  0.00  0.00    +0.124 A 
ATOM     20  C   LIG    1        1.266  -0.103   0.465  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1        1.583  -0.987  -0.570  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1        2.916  -1.135  -0.959  0.00  0.00    +0.034 A 
BRANCH  17  26
ATOM     23  C   LIG    1        7.617   0.179  -0.096  0.00  0.00    +0.128 C 
ATOM     24  N   LIG    1        6.189   0.262   0.043  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1        5.778   0.774   0.820  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1        5.328  -0.532  -0.682  0.00  0.00    +0.262 C 
ATOM     27  O   LIG    1        5.676  -1.300  -1.571  0.00  0.00    -0.269 OA
ENDBRANCH  17  26
ENDBRANCH   1  20
TORSDOF 3