REMARK  Name = BDB053293
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.242   0.465  -0.902  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.464  -0.078   0.127  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.539  -1.107  -0.128  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -0.378  -1.583  -1.442  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -1.157  -1.041  -2.468  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.084  -0.030  -2.199  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  O   LIG    1        0.572  -2.556  -1.614  0.00  0.00    -0.495 OA
ATOM      8  C   LIG    1        0.688  -3.133  -2.909  0.00  0.00    +0.277 C 
ENDBRANCH   4   7
BRANCH   1   9
ATOM      9  C   LIG    1       -3.256   1.548  -0.608  0.00  0.00    +0.049 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.612   0.969  -0.169  0.00  0.00    +0.102 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -5.752   3.287  -0.176  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -5.485   1.991   0.580  0.00  0.00    +0.011 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -5.380   0.414  -1.359  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -5.342   0.872  -2.491  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.168  -0.640  -1.041  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -6.111  -0.917  -0.107  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        0.289  -1.645   1.013  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.578  -0.996   1.062  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        2.037  -0.865   0.171  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        2.360  -1.081   2.193  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        1.976  -1.587   3.242  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        3.746  -0.546   2.078  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        4.082   0.456   1.160  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        5.396   0.928   1.088  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.383   0.419   1.941  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1        7.799   0.904   1.839  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        6.042  -0.583   2.857  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        4.730  -1.056   2.932  0.00  0.00    +0.013 A 
ENDBRANCH  20  22
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 9