REMARK  Name = BDB055481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.194  -0.144  -0.088  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1        2.168  -0.561   0.844  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1        3.515  -0.293   0.573  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        3.943   0.359  -0.576  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        5.356   0.418  -0.447  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1        5.787  -0.147   0.676  0.00  0.00    -0.158 NA
ATOM      7  C   LIG    1        2.982   0.773  -1.514  0.00  0.00    +0.014 A 
ATOM      8  N   LIG    1        4.658  -0.562   1.276  0.00  0.00    -0.275 N 
ATOM      9  H   LIG    1        4.735  -1.029   2.172  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1        1.625   0.513  -1.257  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -2.537   0.103   0.108  0.00  0.00    +0.049 A 
ATOM     12  N   LIG    1       -2.818  -1.054   0.742  0.00  0.00    -0.219 NA
ATOM     13  C   LIG    1       -1.788  -1.827   1.086  0.00  0.00    +0.213 A 
ATOM     14  N   LIG    1       -0.509  -1.561   0.820  0.00  0.00    -0.215 NA
ATOM     15  C   LIG    1       -0.238  -0.406   0.175  0.00  0.00    +0.076 A 
ATOM     16  C   LIG    1       -1.241   0.470  -0.198  0.00  0.00    +0.052 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -4.437   1.477   0.993  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1       -3.699   1.004  -0.260  0.00  0.00    +0.032 C 
ATOM     19  C   LIG    1       -4.655   0.293  -1.219  0.00  0.00    +0.014 C 
ENDBRANCH  11  18
BRANCH  13  20
ATOM     20  N   LIG    1       -2.072  -3.017   1.723  0.00  0.00    -0.327 N 
ATOM     21  H   LIG    1       -1.335  -3.682   1.538  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -3.017  -3.297   1.499  0.00  0.00    +0.145 HD
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH   5  23
ATOM     23  N   LIG    1        6.184   0.963  -1.353  0.00  0.00    -0.341 N 
ATOM     24  H   LIG    1        7.163   0.721  -1.237  0.00  0.00    +0.144 HD
ATOM     25  H   LIG    1        5.898   1.002  -2.322  0.00  0.00    +0.144 HD
ENDBRANCH   5  23
TORSDOF 4