REMARK  Name = BDB052103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.218  -1.958   1.991  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.324  -1.163   1.261  0.00  0.00    +0.086 A 
ATOM      3  C   LIG    1        0.309  -0.381   0.067  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1       -0.912   0.129  -0.169  0.00  0.00    -0.168 NA
ATOM      5  N   LIG    1       -1.654  -0.275   0.886  0.00  0.00    -0.243 N 
ATOM      6  C   LIG    1       -0.959  -1.051   1.772  0.00  0.00    +0.164 A 
ATOM      7  N   LIG    1       -1.426  -1.598   2.907  0.00  0.00    -0.216 NA
ATOM      8  C   LIG    1       -0.478  -2.313   3.532  0.00  0.00    +0.225 A 
ATOM      9  N   LIG    1        0.792  -2.526   3.139  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1        1.400  -0.106  -0.859  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1        2.665   0.285  -0.402  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1        3.666   0.519  -1.360  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1        3.326   0.356  -2.698  0.00  0.00    +0.138 A 
ATOM     14  N   LIG    1        4.434   0.633  -3.451  0.00  0.00    -0.346 N 
ATOM     15  H   LIG    1        4.447   0.590  -4.459  0.00  0.00    +0.167 HD
ATOM     16  C   LIG    1        5.482   0.968  -2.631  0.00  0.00    +0.085 A 
ATOM     17  N   LIG    1        2.133  -0.004  -3.202  0.00  0.00    -0.237 NA
ATOM     18  C   LIG    1        5.033   0.908  -1.327  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        1.200  -0.210  -2.237  0.00  0.00    +0.123 A 
ENDBRANCH   3  10
BRANCH   5  20
ATOM     20  C   LIG    1       -3.047   0.124   1.002  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1       -3.196   1.621   1.325  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1       -4.258   2.142   0.364  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -4.093   1.269  -0.867  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -3.863  -0.117  -0.280  0.00  0.00    +0.027 C 
ENDBRANCH   5  20
BRANCH   1  25
ATOM     25  N   LIG    1        2.523  -2.240   1.615  0.00  0.00    -0.342 N 
ATOM     26  H   LIG    1        2.882  -3.023   2.150  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        2.682  -2.289   0.616  0.00  0.00    +0.144 HD
ENDBRANCH   1  25
TORSDOF 3