REMARK  Name = BDB055352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.779  -0.304  -0.121  0.00  0.00    -0.000 A 
ATOM      2  C   LIG    1       -0.369  -0.956  -1.290  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        0.936  -0.807  -1.774  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        1.872  -0.008  -1.099  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1        1.446   0.647   0.071  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.143   0.499   0.557  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -5.100   2.725   1.218  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -5.261   1.255   1.367  0.00  0.00    +0.021 A 
ATOM      9  N   LIG    1       -4.257   0.352   1.071  0.00  0.00    -0.314 N 
ATOM     10  C   LIG    1       -4.723  -0.925   1.313  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -3.871  -2.068   1.085  0.00  0.00    +0.273 A 
ATOM     12  N   LIG    1       -2.606  -1.757   0.617  0.00  0.00    -0.319 N 
ATOM     13  H   LIG    1       -1.990  -2.547   0.473  0.00  0.00    +0.169 HD
ATOM     14  C   LIG    1       -2.149  -0.476   0.383  0.00  0.00    +0.066 A 
ATOM     15  O   LIG    1       -4.201  -3.236   1.274  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -6.023  -0.838   1.764  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1       -2.965   0.571   0.604  0.00  0.00    +0.118 A 
ATOM     18  C   LIG    1       -6.362   0.534   1.798  0.00  0.00    +0.023 A 
ENDBRANCH   1  14
BRANCH   4  19
ATOM     19  C   LIG    1        3.308   0.189  -1.604  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        3.769  -0.818  -2.674  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        3.402   1.597  -2.224  0.00  0.00    +0.046 C 
BRANCH  19  22
ATOM     22  O   LIG    1        4.243   0.204  -0.502  0.00  0.00    -0.367 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.447  -1.050   0.165  0.00  0.00    +0.188 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.341  -0.788   1.374  0.00  0.00    +0.184 C 
BRANCH  24  25
ATOM     25  O   LIG    1        4.723   0.166   2.236  0.00  0.00    -0.393 OA
ATOM     26  H   LIG    1        4.458   0.899   1.648  0.00  0.00    +0.209 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   4  19
TORSDOF 6