REMARK  Name = BDB011611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.542  -0.724  -0.542  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        1.598  -0.025  -0.003  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        1.348   0.719   0.650  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.627  -1.745  -1.214  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.941  -0.254  -0.110  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1        3.881   0.477   0.801  0.00  0.00    +0.293 A 
ATOM      7  O   LIG    1        3.485   1.308   1.607  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        5.173   0.056   0.476  0.00  0.00    -0.213 N 
ATOM      9  N   LIG    1        5.087  -0.913  -0.559  0.00  0.00    -0.282 N 
ATOM     10  C   LIG    1        5.808  -2.165  -0.265  0.00  0.00    +0.171 C 
ATOM     11  C   LIG    1        3.723  -1.013  -0.896  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        3.330  -1.863  -2.061  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        6.365   0.790   0.731  0.00  0.00    +0.102 A 
ATOM     14  C   LIG    1        7.504   0.704  -0.086  0.00  0.00    +0.149 A 
ATOM     15  F   LIG    1        7.524  -0.061  -1.188  0.00  0.00    -0.203 F 
ATOM     16  C   LIG    1        8.663   1.434   0.191  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        8.711   2.275   1.297  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        7.596   2.383   2.122  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        6.437   1.649   1.841  0.00  0.00    +0.031 A 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  25
ATOM     20  C   LIG    1       -2.428  -1.856  -1.185  0.00  0.00    +0.068 C 
ATOM     21  C   LIG    1       -2.021  -0.592  -0.522  0.00  0.00    +0.074 A 
ATOM     22  N   LIG    1       -2.871   0.367   0.010  0.00  0.00    -0.215 N 
ATOM     23  N   LIG    1       -2.151   1.212   0.794  0.00  0.00    -0.060 NA
ATOM     24  N   LIG    1       -0.865   0.968   0.609  0.00  0.00    -0.124 NA
ATOM     25  C   LIG    1       -0.752  -0.138  -0.193  0.00  0.00    +0.170 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -4.277   0.512  -0.066  0.00  0.00    +0.086 A 
ATOM     27  C   LIG    1       -5.008   0.343  -1.245  0.00  0.00    +0.067 A 
ATOM     28 CL   LIG    1       -4.293   0.178  -2.811  0.00  0.00    -0.081 Cl
ATOM     29  C   LIG    1       -6.407   0.462  -1.217  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1       -7.106   0.771  -0.039  0.00  0.00    -0.043 A 
ATOM     31  C   LIG    1       -6.347   1.001   1.116  0.00  0.00    +0.006 A 
ATOM     32  C   LIG    1       -4.953   0.884   1.107  0.00  0.00    +0.029 A 
BRANCH  30  33
ATOM     33  C   LIG    1       -8.608   0.910  -0.031  0.00  0.00    +0.019 C 
ATOM     34  C   LIG    1       -9.476  -0.225  -0.524  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -9.437   0.099   0.938  0.00  0.00    +0.009 C 
ENDBRANCH  30  33
ENDBRANCH  22  26
ENDBRANCH   1  25
TORSDOF 5