REMARK  Name = BDB031546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.101   1.568  -1.778  0.00  0.00    -0.288 NA
ATOM      2  C   LIG    1        1.083   2.302  -2.309  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1        1.119   2.305  -3.826  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1        1.983   1.246  -1.599  0.00  0.00    +0.204 C 
ATOM      5  C   LIG    1        0.754   1.067  -0.668  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -1.105   2.515  -1.272  0.00  0.00    +0.123 C 
BRANCH   6  16
ATOM      7  C   LIG    1       -6.266  -0.982   0.486  0.00  0.00    +0.106 A 
ATOM      8  C   LIG    1       -5.978  -1.298  -0.983  0.00  0.00    +0.271 A 
ATOM      9  O   LIG    1       -6.671  -2.090  -1.604  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -4.909  -0.640  -1.534  0.00  0.00    -0.319 N 
ATOM     11  H   LIG    1       -4.698  -0.833  -2.503  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -4.138   0.256  -0.789  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1       -4.466   0.487   0.556  0.00  0.00    +0.090 A 
ATOM     14  C   LIG    1       -3.692   1.379   1.294  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1       -2.614   2.025   0.696  0.00  0.00    +0.130 A 
ATOM     16  C   LIG    1       -2.278   1.801  -0.643  0.00  0.00    +0.004 A 
ATOM     17  F   LIG    1       -1.886   2.877   1.432  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -3.058   0.905  -1.390  0.00  0.00    +0.035 A 
ATOM     19  N   LIG    1       -5.548  -0.153   1.188  0.00  0.00    -0.245 NA
BRANCH   7  21
ATOM     20  C   LIG    1       -7.004  -3.086   1.591  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -7.425  -1.702   1.130  0.00  0.00    +0.057 C 
ENDBRANCH   7  21
ENDBRANCH   6  16
ENDBRANCH   1   6
BRANCH   4  22
ATOM     22  O   LIG    1        3.196   1.772  -1.014  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.940   0.965  -0.196  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1        4.962   1.579   0.520  0.00  0.00    +0.157 A 
ATOM     25  N   LIG    1        5.795   0.935   1.369  0.00  0.00    -0.247 NA
ATOM     26  C   LIG    1        5.601  -0.398   1.514  0.00  0.00    +0.126 A 
ATOM     27  C   LIG    1        4.608  -1.103   0.838  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1        3.768  -0.406  -0.033  0.00  0.00    +0.049 A 
BRANCH  26  29
ATOM     29  C   LIG    1        6.524  -1.108   2.459  0.00  0.00    +0.262 C 
ATOM     30  N   LIG    1        6.972  -2.353   2.037  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1        6.889  -2.579   1.055  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1        7.972  -3.054   2.803  0.00  0.00    +0.128 C 
ATOM     33  O   LIG    1        6.861  -0.601   3.523  0.00  0.00    -0.269 OA
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6