REMARK  Name = BDB064668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.468  -2.095   1.630  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.525  -1.378   0.998  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.224  -0.552   0.477  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.340  -3.272   1.959  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.242  -0.496  -0.486  0.00  0.00    +0.224 C 
ATOM      6  N   LIG    1       -2.544  -1.333   0.563  0.00  0.00    -0.287 N 
ATOM      7  C   LIG    1       -1.777  -1.300   1.813  0.00  0.00    +0.164 C 
ATOM      8  C   LIG    1       -2.706  -1.939   2.841  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -3.522  -2.933   2.020  0.00  0.00    +0.134 C 
ATOM     10  C   LIG    1       -3.706  -2.203   0.688  0.00  0.00    +0.140 C 
ATOM     11  O   LIG    1       -1.255   0.246  -0.442  0.00  0.00    -0.275 OA
BRANCH   9  12
ATOM     12  O   LIG    1       -4.754  -3.202   2.667  0.00  0.00    -0.390 OA
ATOM     13  H   LIG    1       -5.213  -3.893   2.158  0.00  0.00    +0.210 HD
ENDBRANCH   9  12
BRANCH   5  14
ATOM     14  C   LIG    1       -3.140  -0.517  -1.709  0.00  0.00    +0.173 C 
BRANCH  14  19
ATOM     15  C   LIG    1       -6.399   3.353  -1.046  0.00  0.00    +0.069 C 
ATOM     16  C   LIG    1       -5.715   2.056  -1.239  0.00  0.00    +0.081 A 
ATOM     17  N   LIG    1       -6.424   0.922  -1.295  0.00  0.00    -0.083 NA
ATOM     18  O   LIG    1       -5.501  -0.090  -1.479  0.00  0.00    -0.359 OA
ATOM     19  C   LIG    1       -4.250   0.439  -1.522  0.00  0.00    +0.146 A 
ATOM     20  C   LIG    1       -4.332   1.803  -1.382  0.00  0.00    +0.071 A 
ENDBRANCH  14  19
ENDBRANCH   5  14
ENDBRANCH   1   7
BRANCH   2  21
ATOM     21  C   LIG    1        1.742  -2.023   0.575  0.00  0.00    +0.139 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.759  -1.009   0.127  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        2.792  -0.569  -1.200  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        3.722   0.394  -1.605  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        4.638   0.945  -0.696  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        4.587   0.512   0.635  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        3.657  -0.451   1.044  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        5.607   1.944  -1.130  0.00  0.00    +0.158 A 
ATOM     29  C   LIG    1        6.846   2.400  -0.710  0.00  0.00    +0.084 A 
ATOM     30  C   LIG    1        7.693   1.957   0.418  0.00  0.00    +0.069 C 
ATOM     31  N   LIG    1        7.280   3.410  -1.542  0.00  0.00    -0.221 NA
ATOM     32  C   LIG    1        6.313   3.523  -2.422  0.00  0.00    +0.308 A 
ATOM     33  O   LIG    1        5.270   2.671  -2.246  0.00  0.00    -0.442 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 7