REMARK  Name = BDB051304
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.266   2.158  -1.058  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.175   1.646  -1.280  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -3.580   0.613  -0.380  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -4.378   0.116   0.653  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -3.885  -0.843   1.534  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -2.563  -1.264   1.361  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -1.721  -0.783   0.353  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -0.436  -1.419   0.546  0.00  0.00    -0.021 A 
ATOM      9  C   LIG    1       -0.579  -2.285   1.613  0.00  0.00    +0.087 A 
ATOM     10  N   LIG    1       -1.848  -2.177   2.098  0.00  0.00    -0.360 N 
ATOM     11  H   LIG    1       -2.212  -2.682   2.894  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1       -2.246   0.165  -0.572  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -1.450   0.760  -1.712  0.00  0.00    +0.055 C 
ATOM     14  C   LIG    1       -2.358   1.186  -2.858  0.00  0.00    +0.109 C 
ATOM     15  N   LIG    1       -3.442   2.009  -2.385  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -3.944   2.607  -3.030  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   8  17
ATOM     17  C   LIG    1        0.813  -1.193  -0.261  0.00  0.00    +0.052 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.137  -1.701   0.343  0.00  0.00    +0.086 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.544  -1.164   1.649  0.00  0.00    -0.312 NA
ATOM     20  H   LIG    1        3.456  -1.544   1.895  0.00  0.00    +0.122 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.599   0.294   1.740  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.684   0.843   0.883  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        5.051   0.680   1.001  0.00  0.00    +0.109 A 
ATOM     24  N   LIG    1        5.614   1.387  -0.020  0.00  0.00    -0.284 N 
ATOM     25  H   LIG    1        6.598   1.495  -0.243  0.00  0.00    +0.188 HD
ATOM     26  N   LIG    1        4.714   2.006  -0.800  0.00  0.00    -0.182 NA
ATOM     27  C   LIG    1        3.543   1.685  -0.244  0.00  0.00    +0.139 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   8  17
TORSDOF 5