REMARK  Name = BDB062254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.157   0.789  -0.709  0.00  0.00    -0.479 OA
ENDROOT
BRANCH   1  14
ATOM      2  C   LIG    1       -1.375   5.241   1.456  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -1.896   3.846   1.269  0.00  0.00    -0.043 A 
ATOM      4  C   LIG    1       -3.049   3.425   1.930  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.540   2.141   1.699  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -2.920   1.242   0.819  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1       -3.558  -0.062   0.674  0.00  0.00    -0.023 A 
ATOM      8  C   LIG    1       -3.131  -1.204  -0.186  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1       -4.351  -2.132  -0.146  0.00  0.00    +0.010 C 
ATOM     10  C   LIG    1       -5.146  -1.748   1.103  0.00  0.00    +0.043 C 
ATOM     11  C   LIG    1       -4.658  -0.370   1.368  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1       -5.314   0.548   2.297  0.00  0.00    +0.341 A 
ATOM     13  O   LIG    1       -6.319   0.238   2.924  0.00  0.00    -0.245 OA
ATOM     14  C   LIG    1       -1.748   1.663   0.166  0.00  0.00    +0.133 A 
ATOM     15  O   LIG    1       -4.715   1.796   2.414  0.00  0.00    -0.422 OA
ATOM     16  C   LIG    1       -1.264   2.966   0.377  0.00  0.00    +0.050 A 
ENDBRANCH   1  14
BRANCH   1  17
ATOM     17  C   LIG    1        0.259   0.859  -0.883  0.00  0.00    +0.255 C 
ATOM     18  C   LIG    1        0.557   1.499  -2.236  0.00  0.00    +0.062 C 
BRANCH  17  19
ATOM     19  C   LIG    1        0.851  -0.565  -0.859  0.00  0.00    +0.254 C 
ATOM     20  N   LIG    1        2.229  -0.608  -0.819  0.00  0.00    -0.304 N 
ATOM     21  H   LIG    1        2.783   0.243  -0.776  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        0.180  -1.594  -0.867  0.00  0.00    -0.272 OA
BRANCH  20  23
ATOM     23  C   LIG    1        2.934  -1.872  -0.789  0.00  0.00    +0.200 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.435  -1.628  -0.663  0.00  0.00    +0.231 C 
ATOM     25  N   LIG    1        5.215  -2.756  -0.624  0.00  0.00    -0.304 N 
ATOM     26  H   LIG    1        4.750  -3.655  -0.553  0.00  0.00    +0.149 HD
ATOM     27  O   LIG    1        4.941  -0.504  -0.649  0.00  0.00    -0.274 OA
BRANCH  25  28
ATOM     28  C   LIG    1        6.628  -2.719  -0.256  0.00  0.00    +0.224 C 
BRANCH  28  29
ATOM     29  C   LIG    1        7.595  -2.158  -1.300  0.00  0.00    +0.322 C 
ATOM     30  O   LIG    1        8.713  -2.620  -1.488  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1        7.173  -1.038  -1.927  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1        6.338  -0.680  -1.543  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 8