REMARK  Name = BDB044929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.016   1.609   0.088  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        2.886   0.559   0.526  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        2.082  -0.515   0.902  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        2.601  -1.723   1.383  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1        3.990  -1.837   1.484  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        4.823  -0.784   1.118  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1        0.777  -0.135   0.705  0.00  0.00    -0.357 N 
ATOM      8  H   LIG    1       -0.025  -0.723   0.894  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1        4.286   0.417   0.638  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        0.711   1.146   0.209  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1        1.619   3.787  -0.766  0.00  0.00    -0.296 OA
ATOM     12  C   LIG    1        2.409   2.922  -0.397  0.00  0.00    +0.261 C 
ENDBRANCH   1  12
BRANCH  10  13
ATOM     13  C   LIG    1       -0.589   1.835  -0.112  0.00  0.00    +0.091 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.806   0.988   0.119  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -2.339  -0.008  -0.764  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -3.469  -0.551  -0.150  0.00  0.00    +0.065 A 
ATOM     17  C   LIG    1       -4.230  -1.563  -0.747  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1       -3.834  -2.039  -1.998  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -2.709  -1.516  -2.633  0.00  0.00    +0.002 A 
ATOM     20 CL   LIG    1       -5.615  -2.213   0.034  0.00  0.00    -0.081 Cl
ATOM     21  N   LIG    1       -3.626   0.096   1.054  0.00  0.00    -0.359 N 
ATOM     22  H   LIG    1       -4.377  -0.092   1.705  0.00  0.00    +0.165 HD
ATOM     23  C   LIG    1       -1.955  -0.503  -2.028  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -2.628   1.014   1.231  0.00  0.00    +0.087 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
TORSDOF 3