REMARK  Name = BDB056580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.273   1.016  -1.087  0.00  0.00    +0.064 A 
ATOM      2  N   LIG    1       -0.680   0.332  -0.023  0.00  0.00    -0.245 N 
ATOM      3  C   LIG    1       -1.300  -0.405   1.011  0.00  0.00    +0.421 C 
ATOM      4  O   LIG    1       -0.707  -0.678   2.043  0.00  0.00    -0.223 OA
ATOM      5  C   LIG    1        0.711   0.431  -0.188  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1        0.958   0.964  -1.452  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1        2.281   1.097  -1.882  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1        3.310   0.716  -1.090  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1        3.077   0.207   0.135  0.00  0.00    +0.125 A 
ATOM     10  C   LIG    1        1.782   0.030   0.627  0.00  0.00    +0.070 A 
ATOM     11  C   LIG    1       -0.294   1.283  -2.023  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -5.533   2.957  -3.023  0.00  0.00    +0.172 C 
ATOM     13  N   LIG    1       -4.568   2.369  -2.126  0.00  0.00    -0.274 N 
ATOM     14  N   LIG    1       -4.927   2.083  -0.863  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1       -3.813   1.571  -0.331  0.00  0.00    +0.144 A 
ATOM     16  C   LIG    1       -2.750   1.506  -1.253  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1       -3.268   2.060  -2.403  0.00  0.00    +0.118 A 
ENDBRANCH   1  16
BRANCH   9  18
ATOM     18  N   LIG    1        4.143  -0.207   0.969  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1        3.997   0.138   1.915  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        5.527  -0.277   0.673  0.00  0.00    +0.051 A 
ATOM     21  C   LIG    1        6.480  -0.146   1.705  0.00  0.00    +0.062 A 
ATOM     22 CL   LIG    1        5.978   0.186   3.330  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        7.850  -0.267   1.452  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        8.295  -0.540   0.160  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        7.370  -0.699  -0.869  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        6.000  -0.578  -0.611  0.00  0.00    +0.025 A 
ENDBRANCH  18  20
ENDBRANCH   9  18
BRANCH   3  27
ATOM     27  O   LIG    1       -2.527  -0.826   0.626  0.00  0.00    -0.442 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -3.273  -1.763   1.447  0.00  0.00    +0.107 C 
ATOM     29  C   LIG    1       -4.579  -2.014   0.678  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -3.615  -1.164   2.816  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -2.524  -3.094   1.580  0.00  0.00    +0.055 C 
ENDBRANCH  27  28
ENDBRANCH   3  27
TORSDOF 5