REMARK  Name = BDB041348
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.694  -0.001  -0.295  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        4.782  -0.601  -1.089  0.00  0.00    -0.245 NA
ATOM      3  C   LIG    1        3.528  -0.769  -0.589  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1        2.564  -1.438  -1.530  0.00  0.00    +0.059 C 
ATOM      5  C   LIG    1        1.344  -1.973  -0.804  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1        0.791  -0.880   0.110  0.00  0.00    +0.088 C 
ATOM      7  N   LIG    1        1.797  -0.543   1.152  0.00  0.00    -0.323 N 
ATOM      8  C   LIG    1        1.284   0.290   2.259  0.00  0.00    +0.121 C 
ATOM      9  C   LIG    1       -0.074  -0.226   2.793  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -1.117  -0.465   1.772  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -0.537  -1.369   0.753  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1        3.104  -0.326   0.684  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        4.101   0.274   1.466  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        5.401   0.445   0.983  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        8.979   1.674  -1.165  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1        7.714   1.356  -0.552  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        7.150   2.124  -0.213  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        7.072   0.165  -0.866  0.00  0.00    +0.262 C 
ATOM     19  O   LIG    1        7.578  -0.697  -1.577  0.00  0.00    -0.269 OA
ENDBRANCH   1  18
BRANCH  10  20
ATOM     20  C   LIG    1       -1.617   0.802   1.217  0.00  0.00    +0.125 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.885   0.635   0.424  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1       -4.117   0.480   1.061  0.00  0.00    +0.156 A 
ATOM     23  F   LIG    1       -4.188   0.514   2.402  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1       -5.291   0.307   0.325  0.00  0.00    +0.104 A 
ATOM     25  C   LIG    1       -5.258   0.288  -1.075  0.00  0.00    +0.093 A 
ATOM     26  N   LIG    1       -6.417   0.118  -1.853  0.00  0.00    -0.245 NA
ATOM     27  C   LIG    1       -7.554  -0.028  -1.235  0.00  0.00    +0.103 A 
ATOM     28  C   LIG    1       -7.687  -0.020   0.288  0.00  0.00    +0.270 A 
ATOM     29  O   LIG    1       -8.777  -0.160   0.820  0.00  0.00    -0.266 OA
ATOM     30  C   LIG    1       -8.822  -0.215  -2.016  0.00  0.00    +0.071 C 
ATOM     31  C   LIG    1       -4.032   0.445  -1.719  0.00  0.00    +0.068 A 
ATOM     32  N   LIG    1       -6.518   0.153   0.982  0.00  0.00    -0.317 N 
ATOM     33  H   LIG    1       -6.558   0.159   1.994  0.00  0.00    +0.169 HD
ATOM     34  C   LIG    1       -2.867   0.615  -0.972  0.00  0.00    +0.133 A 
ATOM     35  F   LIG    1       -1.703   0.752  -1.623  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 3