REMARK  Name = BDB044675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.809  -0.078  -0.092  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.483   0.637   1.111  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1       -0.069   1.481   0.866  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1       -2.025   0.584  -0.760  0.00  0.00    +0.155 C 
BRANCH   4   5
ATOM      5  N   LIG    1       -3.288   0.223  -0.124  0.00  0.00    -0.337 N 
ATOM      6  C   LIG    1       -3.954   0.988   0.814  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -5.153   0.331   1.098  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -6.041   0.908   2.032  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -5.707   2.114   2.655  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.504   2.748   2.363  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -5.190  -0.864   0.314  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -6.127  -1.911   0.182  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -5.862  -2.973  -0.689  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.683  -3.004  -1.424  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.739  -1.978  -1.313  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -3.608   2.198   1.441  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -4.014  -0.913  -0.437  0.00  0.00    +0.050 A 
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  C   LIG    1        0.398  -0.068  -1.064  0.00  0.00    +0.114 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.499  -0.981  -0.730  0.00  0.00    -0.313 NA
ATOM     20  H   LIG    1        2.236  -0.879  -1.431  0.00  0.00    +0.122 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.091  -0.735   0.593  0.00  0.00    +0.085 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.409  -1.504   0.790  0.00  0.00    +0.052 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.526  -1.013  -0.084  0.00  0.00    -0.021 A 
ATOM     24  C   LIG    1        5.291   0.186   0.090  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        6.216   0.247  -0.952  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        7.129   1.299  -1.095  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1        7.096   2.320  -0.142  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.187   2.288   0.912  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1        6.032  -0.876  -1.723  0.00  0.00    -0.360 N 
ATOM     30  H   LIG    1        6.575  -1.102  -2.545  0.00  0.00    +0.165 HD
ATOM     31  C   LIG    1        5.281   1.228   1.040  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1        5.018  -1.640  -1.212  0.00  0.00    +0.087 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8