REMARK  Name = BDB009199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.690  -1.292   0.137  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.327  -0.878   1.008  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.417  -1.718   1.283  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.458  -2.988   0.688  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.454  -3.396  -0.192  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.616  -2.548  -0.476  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        3.049  -0.957  -0.279  0.00  0.00    -0.279 N 
ATOM      8  H   LIG    1        3.118  -1.952  -0.093  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.815  -0.355  -0.139  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        1.574   0.845  -0.194  0.00  0.00    -0.270 OA
BRANCH   7  16
ATOM     11  C   LIG    1        8.194   1.301  -1.422  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        6.837   0.724  -1.153  0.00  0.00    -0.048 A 
ATOM     13  C   LIG    1        6.684  -0.639  -0.881  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1        5.419  -1.151  -0.601  0.00  0.00    +0.145 A 
ATOM     15  F   LIG    1        5.293  -2.465  -0.353  0.00  0.00    -0.204 F 
ATOM     16  C   LIG    1        4.283  -0.334  -0.570  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1        4.438   1.027  -0.830  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        5.707   1.551  -1.113  0.00  0.00    +0.005 A 
ENDBRANCH   7  16
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -2.508  -1.297   2.241  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.006   0.131   2.038  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.812   0.472   0.824  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -4.178  -0.581  -0.185  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -5.277  -0.134  -1.154  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.027   1.284  -1.650  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.974   2.272  -0.483  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -4.192   1.755   0.692  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -3.836   2.748   1.737  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -4.186   3.922   1.659  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -3.108   2.272   2.792  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -2.846   2.936   3.512  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -2.685   0.991   2.960  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 4