REMARK  Name = BDB011616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.789  -0.537  -0.908  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.266  -0.152  -0.112  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.015   0.224   0.803  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.700  -1.165  -1.956  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.608  -0.328  -0.299  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.540  -0.096   0.845  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -2.182   0.356   1.923  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -3.826  -0.436   0.421  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -3.758  -0.712  -0.978  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -4.600  -1.821  -1.433  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -2.398  -0.655  -1.335  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.007  -0.855  -2.764  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.989   0.239   0.999  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -5.562   1.344   0.097  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -6.744   2.049   0.760  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -7.820   1.057   1.193  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -7.252  -0.034   2.097  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -6.074  -0.753   1.441  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  22
ATOM     19  N   LIG    1        4.209   0.158   0.108  0.00  0.00    -0.216 N 
ATOM     20  C   LIG    1        3.353  -0.310  -0.885  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1        3.748  -0.803  -2.226  0.00  0.00    +0.068 C 
ATOM     22  C   LIG    1        2.083  -0.154  -0.343  0.00  0.00    +0.170 A 
ATOM     23  N   LIG    1        2.186   0.471   0.870  0.00  0.00    -0.124 NA
ATOM     24  N   LIG    1        3.464   0.700   1.109  0.00  0.00    -0.060 NA
BRANCH  19  28
ATOM     25  C   LIG    1        8.438   0.183   0.545  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1        7.630   0.957   1.373  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        6.237   0.935   1.218  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1        5.631   0.148   0.223  0.00  0.00    +0.068 A 
ATOM     29  C   LIG    1        6.447  -0.641  -0.591  0.00  0.00    +0.031 A 
ATOM     30  C   LIG    1        7.839  -0.615  -0.430  0.00  0.00    +0.048 A 
BRANCH  25  32
ATOM     31  C   LIG    1       10.458   0.902   1.570  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        9.802   0.110   0.588  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  19  28
ENDBRANCH   1  22
TORSDOF 5