REMARK  Name = BDB053946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.345  -0.222  -1.048  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1        1.256   0.481  -0.503  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -0.015  -0.131  -0.433  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.143  -1.429  -0.932  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -1.454  -1.807  -0.765  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -1.832  -2.702  -1.041  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -2.184  -0.803  -0.179  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -3.542  -0.749   0.169  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -4.622  -1.789   0.038  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -5.884  -0.929   0.196  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -5.504   0.256   1.097  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -4.053   0.407   0.775  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -3.210   1.457   1.026  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -3.450   2.753   1.656  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -4.510   3.142   2.103  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -2.260   3.407   1.642  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -2.119   4.326   2.029  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -1.262   2.663   1.088  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1       -0.098   2.989   0.976  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -1.865   1.399   0.673  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        0.923  -2.143  -1.490  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -1.304   0.269   0.054  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        2.172  -1.517  -1.543  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  25
ATOM     24  O   LIG    1        3.697   1.687  -1.221  0.00  0.00    -0.290 OA
ATOM     25  C   LIG    1        3.667   0.463  -1.103  0.00  0.00    +0.184 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.916  -0.382  -1.062  0.00  0.00    +0.224 C 
BRANCH  26  27
ATOM     27  N   LIG    1        5.986   0.235  -0.305  0.00  0.00    -0.244 N 
ATOM     28  N   LIG    1        6.563  -0.429   0.719  0.00  0.00    -0.158 NA
ATOM     29  C   LIG    1        7.540   0.416   1.060  0.00  0.00    +0.245 A 
ATOM     30  N   LIG    1        7.628   1.544   0.297  0.00  0.00    -0.223 NA
ATOM     31  C   LIG    1        6.637   1.404  -0.554  0.00  0.00    +0.219 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 3