REMARK  Name = BDB054391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.673  -0.546  -1.645  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1        0.042  -0.682  -2.881  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -1.271  -0.222  -3.076  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -1.972   0.390  -2.007  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1       -3.302   0.825  -2.253  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -3.888   0.703  -3.520  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -3.179   0.110  -4.558  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.289   0.552  -0.776  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.885  -0.357  -4.333  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        0.018   0.092  -0.597  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.158   1.418  -1.199  0.00  0.00    +0.245 C 
ATOM     12  N   LIG    1       -4.366   0.619  -0.093  0.00  0.00    -0.308 N 
ATOM     13  H   LIG    1       -3.963  -0.311  -0.104  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1       -4.670   2.517  -1.366  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1       -5.231   1.042   1.017  0.00  0.00    +0.073 C 
ATOM     16  C   LIG    1       -6.746   0.851   0.764  0.00  0.00    +0.022 C 
ATOM     17  C   LIG    1       -6.859   0.405   2.237  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1       -5.374  -0.004   2.150  0.00  0.00    +0.022 C 
ENDBRANCH  12  15
ENDBRANCH   5  11
BRANCH   1  19
ATOM     19  O   LIG    1        1.972  -0.998  -1.564  0.00  0.00    -0.455 OA
BRANCH  19  28
ATOM     20  C   LIG    1        5.497  -0.166   1.977  0.00  0.00    +0.164 A 
ATOM     21  C   LIG    1        5.146   0.542   0.816  0.00  0.00    +0.162 A 
ATOM     22  C   LIG    1        4.105   0.066   0.017  0.00  0.00    +0.063 A 
ATOM     23  C   LIG    1        3.404  -1.111   0.364  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        3.759  -1.816   1.528  0.00  0.00    +0.078 A 
ATOM     25  N   LIG    1        3.133  -2.944   1.911  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1        2.133  -3.421   1.139  0.00  0.00    +0.115 A 
ATOM     27  C   LIG    1        1.703  -2.812  -0.019  0.00  0.00    +0.066 A 
ATOM     28  C   LIG    1        2.338  -1.632  -0.394  0.00  0.00    +0.139 A 
ATOM     29  C   LIG    1        4.797  -1.331   2.312  0.00  0.00    +0.077 A 
BRANCH  20  31
ATOM     30  C   LIG    1        6.921  -0.338   3.890  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        6.529   0.359   2.716  0.00  0.00    -0.491 OA
ENDBRANCH  20  31
BRANCH  21  32
ATOM     32  O   LIG    1        5.874   1.675   0.553  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1        5.541   2.421  -0.609  0.00  0.00    +0.277 C 
ENDBRANCH  21  32
ENDBRANCH  19  28
ENDBRANCH   1  19
TORSDOF 6