REMARK  Name = BDB056320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.401  -0.671  -1.629  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        1.168  -0.667  -0.123  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.998  -0.098   0.602  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.021  -1.275   0.398  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.820  -2.277  -0.258  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.571  -2.936  -1.488  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.532  -3.863  -1.999  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.697  -4.191  -1.326  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.930  -3.601  -0.107  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.618  -2.849  -2.417  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.010  -2.678   0.404  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.832  -2.068  -1.995  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.187   1.612  -2.184  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.465   0.280  -1.943  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.368   0.143  -1.491  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        1.057   2.028  -2.422  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.425   2.535  -2.040  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        3.270   3.758  -2.942  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.859   2.419  -1.843  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.657   1.758  -2.329  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.726   1.612  -3.337  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -0.223  -0.936   1.829  0.00  0.00    +0.153 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.469  -0.111   2.197  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -1.876   1.077   1.503  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1       -3.088   1.714   1.886  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -3.554   2.854   1.208  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -2.826   3.404   0.160  0.00  0.00    +0.018 A 
ATOM     28  C   LIG    1       -1.622   2.837  -0.214  0.00  0.00    +0.016 A 
ATOM     29 BR   LIG    1       -3.469   4.937  -0.736  0.00  0.00    -0.050 Br
ATOM     30  C   LIG    1       -3.831   1.221   2.960  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1       -3.394   0.121   3.689  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -1.155   1.701   0.457  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1       -2.222  -0.541   3.327  0.00  0.00    +0.125 A 
BRANCH  33  34
ATOM     34  O   LIG    1       -1.731  -1.630   4.005  0.00  0.00    -0.495 OA
ATOM     35  C   LIG    1       -2.468  -2.115   5.120  0.00  0.00    +0.277 C 
ENDBRANCH  33  34
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6