REMARK  Name = BDB016691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.096   1.485  -0.913  0.00  0.00    +0.093 A 
ATOM      2  C   LIG    1       -1.197   1.268  -0.028  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.318   1.658  -0.748  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -3.619   1.600  -0.234  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -3.810   1.105   1.070  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -2.677   0.728   1.811  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1       -1.841   2.066  -1.962  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1       -2.375   2.420  -2.747  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -1.377   0.797   1.285  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1       -0.509   1.970  -2.094  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.199   1.022   1.661  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -6.271   0.120   1.082  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1       -6.117  -0.782  -0.110  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -7.327  -0.757  -0.823  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -7.544  -1.476  -1.980  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -6.492  -2.264  -2.447  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -5.272  -2.317  -1.750  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -8.236   0.078  -0.170  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -9.183   0.258  -0.464  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -5.082  -1.579  -0.576  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -7.691   0.627   0.977  0.00  0.00    +0.228 C 
ATOM     22  O   LIG    1       -8.232   1.381   1.768  0.00  0.00    -0.274 OA
ATOM     23  C   LIG    1       -5.654  -0.215   2.410  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  25
ATOM     24  C   LIG    1        2.313   1.422  -1.421  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        1.277   1.217  -0.590  0.00  0.00    +0.031 C 
BRANCH  24  33
ATOM     26  C   LIG    1        7.587  -2.922   1.525  0.00  0.00    +0.105 C 
ATOM     27  N   LIG    1        7.266  -1.832   0.606  0.00  0.00    -0.301 NA
ATOM     28  C   LIG    1        5.836  -1.487   0.700  0.00  0.00    +0.119 C 
ATOM     29  C   LIG    1        5.454  -0.250  -0.088  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        6.426   0.687  -0.476  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1        6.043   1.830  -1.187  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        4.698   2.058  -1.483  0.00  0.00    +0.008 A 
ATOM     33  C   LIG    1        3.714   1.154  -1.071  0.00  0.00    -0.025 A 
ATOM     34  C   LIG    1        7.883   0.422  -0.191  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1        4.103  -0.003  -0.383  0.00  0.00    +0.013 A 
ATOM     36  C   LIG    1        8.087  -0.647   0.891  0.00  0.00    +0.089 C 
ENDBRANCH  24  33
ENDBRANCH   1  25
TORSDOF 3