REMARK  Name = BDB051942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.546   1.225  -0.428  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1       -0.389   0.559  -0.075  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -0.516  -0.353   0.343  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.619   2.385  -0.814  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      5  C   LIG    1       -6.682   1.594   0.916  0.00  0.00    +0.113 C 
ATOM      6  C   LIG    1       -6.279   0.175   0.644  0.00  0.00    +0.229 C 
ATOM      7  N   LIG    1       -4.931  -0.014   0.257  0.00  0.00    -0.287 N 
ATOM      8  C   LIG    1       -4.322  -1.232  -0.068  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -2.986  -0.976  -0.411  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.181  -2.056  -0.847  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -2.701  -3.352  -0.886  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.015  -3.590  -0.511  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -2.760   0.425  -0.244  0.00  0.00    +0.063 A 
ATOM     14  C   LIG    1       -4.842  -2.542  -0.105  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -3.973   0.974   0.125  0.00  0.00    +0.108 A 
ATOM     16  O   LIG    1       -7.042  -0.779   0.745  0.00  0.00    -0.273 OA
ENDBRANCH   1  13
BRANCH   2  17
ATOM     17  C   LIG    1        0.938   1.034  -0.142  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        1.945   0.164   0.307  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        3.304   0.529   0.291  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        3.642   1.797  -0.197  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        2.645   2.662  -0.661  0.00  0.00    +0.061 A 
ATOM     22  C   LIG    1        1.297   2.291  -0.624  0.00  0.00    +0.038 A 
BRANCH  19  23
ATOM     23  C   LIG    1        4.341  -0.394   0.779  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        4.472  -1.685   0.240  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        5.458  -2.560   0.702  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.330  -2.159   1.711  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.216  -0.884   2.260  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.230  -0.009   1.797  0.00  0.00    +0.008 A 
ENDBRANCH  19  23
BRANCH  21  29
ATOM     29  C   LIG    1        3.000   4.003  -1.171  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1        2.433   5.024  -0.829  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1        4.003   3.961  -2.074  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        4.254   3.063  -2.360  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH   2  17
TORSDOF 5