REMARK  Name = BDB012774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.880  -1.404  -0.989  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.058  -0.791  -1.805  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.405   0.629  -1.840  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.882   0.656  -2.254  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.986  -0.579  -3.151  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        1.099  -1.590  -2.437  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.816  -2.609  -0.755  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.495   0.355   0.846  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -3.478   1.067  -0.287  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -2.561   0.448  -1.046  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -2.430   0.775  -1.996  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -1.915  -0.580  -0.419  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -2.547  -0.695   0.803  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -5.433  -0.417   2.237  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -4.445   0.715   1.953  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -3.698   1.108   3.229  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        2.765   0.543  -1.099  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1        2.457  -0.007  -0.309  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        4.097   0.874  -1.185  0.00  0.00    +0.216 C 
ATOM     20  O   LIG    1        4.608   1.375  -2.178  0.00  0.00    -0.276 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.940   0.578   0.007  0.00  0.00    +0.075 C 
ATOM     22  C   LIG    1        4.399   0.554   1.417  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        4.823  -0.728   0.759  0.00  0.00    +0.013 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4