REMARK  Name = BDB056080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.063  -0.498   0.609  0.00  0.00    +0.080 A 
ATOM      2  N   LIG    1        1.337  -0.313   1.097  0.00  0.00    -0.325 N 
ATOM      3  C   LIG    1        1.805  -1.535   1.506  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.931  -2.489   1.290  0.00  0.00    -0.235 NA
ATOM      5  C   LIG    1       -0.154  -1.862   0.724  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   1   7
ATOM      6  CA  LIG    1       -1.658   0.438  -1.115  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1       -0.907   0.586   0.038  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -1.195   1.868   0.598  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -2.130   2.475  -0.242  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -2.647   3.756  -0.008  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -2.215   4.424   1.140  0.00  0.00    +0.043 A 
ATOM     12  C   LIG    1       -1.314   3.837   2.023  0.00  0.00    +0.021 A 
ATOM     13 CL   LIG    1       -2.826   5.999   1.477  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1       -0.806   2.557   1.768  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -2.398   1.590  -1.259  0.00  0.00    -0.348 N 
ATOM     16  H   LIG    1       -2.997   1.790  -2.050  0.00  0.00    +0.166 HD
BRANCH   6  18
ATOM     17  O   LIG    1       -0.624  -0.894  -2.777  0.00  0.00    -0.243 OA
ATOM     18  C   LIG    1       -1.612  -0.576  -2.135  0.00  0.00    +0.354 C 
BRANCH  18  19
ATOM     19  OXT LIG    1       -2.845  -1.078  -2.372  0.00  0.00    -0.476 OA
ATOM     20  HXT LIG    1       -3.421  -0.987  -1.588  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH   6  18
ENDBRANCH   1   7
BRANCH   5  21
ATOM     21  C   LIG    1       -1.381  -2.579   0.440  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -1.360  -3.669  -0.436  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -2.539  -4.360  -0.725  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -3.740  -3.975  -0.128  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.765  -2.903   0.762  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -2.589  -2.208   1.048  0.00  0.00    +0.010 A 
ENDBRANCH   5  21
BRANCH   2  27
ATOM     27  C   LIG    1        2.163   0.881   1.007  0.00  0.00    +0.158 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.345   0.697   0.081  0.00  0.00    -0.028 A 
ATOM     29  C   LIG    1        4.654   0.855   0.561  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        5.746   0.697  -0.297  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        5.537   0.384  -1.638  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1        6.884   0.192  -2.691  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1        4.244   0.230  -2.131  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        3.151   0.389  -1.276  0.00  0.00    +0.007 A 
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 6