REMARK  Name = BDB051321
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.383  -0.268   0.829  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -2.638  -0.079   0.140  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -2.654  -1.008  -0.909  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -3.718  -1.149  -1.804  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -4.825  -0.325  -1.627  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -4.858   0.615  -0.595  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -6.092   1.446  -0.456  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1       -7.096   1.243  -1.128  0.00  0.00    -0.270 OA
ATOM      9  N   LIG    1       -6.059   2.465   0.464  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1       -6.864   3.079   0.427  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -4.811   2.943   1.001  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -3.913   1.787   1.419  0.00  0.00    +0.055 C 
ATOM     13  N   LIG    1       -1.479  -1.719  -0.859  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1       -1.234  -2.469  -1.492  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1       -3.768   0.774   0.304  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1       -0.712  -1.288   0.180  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -0.842   0.450   2.033  0.00  0.00    +0.056 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.092   1.742   1.677  0.00  0.00    +0.110 C 
BRANCH  18  25
ATOM     19  C   LIG    1        5.299  -2.947  -0.925  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1        4.081  -2.146  -0.789  0.00  0.00    -0.304 NA
ATOM     21  C   LIG    1        3.944  -1.617   0.582  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        4.311  -0.142   0.837  0.00  0.00    +0.124 C 
ATOM     23  N   LIG    1        3.226   0.747   0.421  0.00  0.00    -0.284 N 
ATOM     24  C   LIG    1        2.214   0.978   1.341  0.00  0.00    +0.302 C 
ATOM     25  N   LIG    1        1.069   1.528   0.827  0.00  0.00    -0.299 N 
ATOM     26  H   LIG    1        0.840   1.225  -0.107  0.00  0.00    +0.150 HD
ATOM     27  O   LIG    1        2.323   0.708   2.535  0.00  0.00    -0.253 OA
ATOM     28  C   LIG    1        3.162   1.045  -1.002  0.00  0.00    +0.110 C 
ATOM     29  C   LIG    1        2.822  -0.186  -1.838  0.00  0.00    +0.034 C 
ATOM     30  C   LIG    1        3.980  -1.189  -1.897  0.00  0.00    +0.085 C 
ENDBRANCH  18  25
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 3