REMARK  Name = BDB031336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.077  -1.345  -0.503  0.00  0.00    +0.252 C 
ATOM      2  N   LIG    1       -0.205  -0.352  -0.105  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -0.615   0.401   0.439  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.770  -2.333  -1.164  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.180  -0.248  -0.356  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1        1.831   0.880   0.172  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        3.181   0.998  -0.062  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        3.894   0.052  -0.791  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1        5.221   0.462  -0.846  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        5.987  -0.007  -1.300  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1        5.348   1.672  -0.149  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1        6.366   2.320   0.009  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1        3.294  -1.061  -1.321  0.00  0.00    +0.029 A 
ATOM     14  N   LIG    1        4.070   1.993   0.332  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1        3.869   2.818   0.872  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1        1.916  -1.204  -1.096  0.00  0.00    +0.025 A 
ENDBRANCH   2   5
BRANCH   1  18
ATOM     17  C   LIG    1       -3.029  -0.123   0.671  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -2.516  -1.192  -0.085  0.00  0.00    +0.082 A 
ATOM     19  C   LIG    1       -3.387  -2.213  -0.500  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1       -4.722  -2.140  -0.154  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1       -5.244  -1.133   0.568  0.00  0.00    -0.260 NA
ATOM     22  C   LIG    1       -4.392  -0.156   0.960  0.00  0.00    +0.157 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -2.728   1.940   1.839  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -2.177   0.871   1.074  0.00  0.00    -0.493 OA
ENDBRANCH  17  24
ENDBRANCH   1  18
TORSDOF 3