REMARK  Name = BDB059977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.018   2.851  -0.090  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1        1.973   1.412   0.078  0.00  0.00    -0.342 N 
ATOM      3  C   LIG    1        0.828   0.627   0.145  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1        1.274  -0.700   0.134  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        0.331  -1.736   0.119  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -1.026  -1.447   0.134  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -1.507  -0.141   0.183  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -2.948  -0.240   0.258  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.280  -1.595   0.194  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.599  -2.066   0.224  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -5.623  -1.125   0.335  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -5.335   0.233   0.421  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.010   0.685   0.387  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1       -2.103  -2.296   0.118  0.00  0.00    -0.354 N 
ATOM     15  H   LIG    1       -2.040  -3.303   0.080  0.00  0.00    +0.166 HD
ATOM     16  C   LIG    1        2.702  -0.698   0.152  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        3.676  -1.719   0.181  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        5.033  -1.384   0.211  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.426  -0.051   0.214  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        4.479   0.977   0.179  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -0.556   0.905   0.181  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        3.116   0.631   0.143  0.00  0.00    +0.050 A 
ENDROOT
BRANCH  21  23
ATOM     23  C   LIG    1       -1.076   2.283   0.205  0.00  0.00    +0.261 C 
ATOM     24  O   LIG    1       -0.600   3.169   0.902  0.00  0.00    -0.296 OA
ENDBRANCH  21  23
TORSDOF 1