REMARK  Name = BDB055462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.012  -2.115  -0.658  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -0.289  -1.830  -0.648  0.00  0.00    -0.215 NA
ATOM      3  C   LIG    1       -0.652  -0.638  -0.133  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.279   0.230   0.404  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.603  -0.165   0.382  0.00  0.00    +0.129 A 
ATOM      6  N   LIG    1        1.969  -1.337  -0.155  0.00  0.00    -0.200 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.098  -0.336  -0.170  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -2.569   0.969  -0.427  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -3.954   1.188  -0.442  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1       -4.885   0.183  -0.218  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -6.144   0.831  -0.321  0.00  0.00    +0.146 A 
ATOM     12  N   LIG    1       -6.025   2.127  -0.592  0.00  0.00    -0.158 NA
ATOM     13  C   LIG    1       -4.425  -1.121   0.033  0.00  0.00    +0.014 A 
ATOM     14  N   LIG    1       -4.697   2.317  -0.661  0.00  0.00    -0.275 N 
ATOM     15  H   LIG    1       -4.359   3.250  -0.863  0.00  0.00    +0.189 HD
ATOM     16  C   LIG    1       -3.041  -1.359   0.048  0.00  0.00    +0.011 A 
BRANCH  11  17
ATOM     17  N   LIG    1       -7.332   0.222  -0.180  0.00  0.00    -0.341 N 
ATOM     18  H   LIG    1       -7.404  -0.769  -0.374  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1       -8.130   0.751  -0.516  0.00  0.00    +0.144 HD
ENDBRANCH  11  17
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  N   LIG    1        1.394  -3.330  -1.187  0.00  0.00    -0.327 N 
ATOM     21  H   LIG    1        0.625  -3.982  -1.142  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        2.274  -3.615  -0.780  0.00  0.00    +0.145 HD
ENDBRANCH   1  20
BRANCH   5  23
ATOM     23  N   LIG    1        2.558   0.724   0.935  0.00  0.00    -0.299 N 
ATOM     24  H   LIG    1        2.256   1.022   1.856  0.00  0.00    +0.154 HD
BRANCH  23  25
ATOM     25  C   LIG    1        3.968   0.673   0.844  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1        4.736   1.347   1.809  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        6.131   1.378   1.730  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.783   0.756   0.670  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.037   0.114  -0.315  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        4.641   0.085  -0.233  0.00  0.00    +0.023 A 
ENDBRANCH  23  25
ENDBRANCH   5  23
TORSDOF 5