REMARK  Name = BDB055864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.004   0.422  -0.210  0.00  0.00    +0.082 A 
ATOM      2  C   LIG    1        1.806  -0.222   0.113  0.00  0.00    +0.104 A 
ATOM      3  C   LIG    1        1.863  -1.507   0.648  0.00  0.00    +0.085 A 
ATOM      4  N   LIG    1        0.554  -1.862   0.852  0.00  0.00    -0.340 N 
ATOM      5  H   LIG    1        0.227  -2.743   1.222  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -0.240  -0.811   0.467  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        3.058  -2.171   0.875  0.00  0.00    +0.138 A 
ATOM      8  N   LIG    1        4.216  -1.545   0.565  0.00  0.00    -0.260 NA
ATOM      9  N   LIG    1        0.494   0.191   0.032  0.00  0.00    -0.231 NA
ATOM     10  C   LIG    1        4.169  -0.297   0.032  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -1.738  -0.855   0.548  0.00  0.00    +0.057 C 
ATOM     12  C   LIG    1       -2.289   0.376   1.287  0.00  0.00    +0.026 C 
ATOM     13  C   LIG    1       -2.775   1.437   0.306  0.00  0.00    +0.081 C 
ATOM     14  N   LIG    1       -3.876   0.950  -0.532  0.00  0.00    -0.316 NA
ATOM     15  H   LIG    1       -3.914   1.529  -1.373  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -3.764  -0.459  -0.906  0.00  0.00    +0.081 C 
ATOM     17  C   LIG    1       -2.337  -0.994  -0.861  0.00  0.00    +0.026 C 
ENDBRANCH   6  11
BRANCH   1  21
ATOM     18  N   LIG    1        3.996   2.618  -0.306  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        4.435   2.464   0.592  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        3.919   3.577  -0.623  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1        3.042   1.765  -0.798  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1        2.280   2.123  -1.685  0.00  0.00    -0.270 OA
ENDBRANCH   1  21
TORSDOF 2