REMARK  Name = BDB053431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.261  -0.523   0.912  0.00  0.00    +0.190 C 
ATOM      2  N   LIG    1        1.550  -1.620   1.665  0.00  0.00    -0.242 N 
ATOM      3  C   LIG    1        2.825  -2.006   2.217  0.00  0.00    +0.141 C 
ATOM      4  C   LIG    1        0.400  -2.331   1.854  0.00  0.00    +0.271 C 
ATOM      5  O   LIG    1        0.217  -3.369   2.461  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.605  -1.516   1.119  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1       -1.891  -1.880   1.042  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.011  -0.418   0.567  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -2.969  -1.167   0.337  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1       -3.024   0.233   0.261  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -4.095   0.812  -0.390  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1       -4.297   2.147  -0.556  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -5.539   2.144  -1.288  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -6.058   0.821  -1.537  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -5.099   0.058  -0.948  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1       -5.092  -1.317  -0.883  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -4.017  -1.930  -0.229  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1        2.234   0.367   0.570  0.00  0.00    -0.317 N 
ATOM     19  H   LIG    1        3.194   0.084   0.696  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.993   1.430  -0.389  0.00  0.00    +0.104 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.243   2.288  -0.592  0.00  0.00    +0.018 C 
BRANCH  21  23
ATOM     22  C   LIG    1        4.842   0.431  -1.363  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        4.199   1.772  -1.674  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5