REMARK  Name = BDB055765
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.950   0.555   0.489  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.287   1.046   0.013  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1        0.533   2.422  -0.021  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1       -0.439   3.339   0.413  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -1.664   2.842   0.883  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -1.918   1.468   0.920  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -3.244  -4.335   0.772  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1       -3.072  -3.011   1.364  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -3.436  -1.932   0.420  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -2.261  -1.308  -0.368  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1       -1.161  -0.847   0.514  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1       -1.222  -1.375   1.900  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -1.690  -2.846   1.875  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  C   LIG    1       -0.192   4.781   0.383  0.00  0.00    +0.135 A 
ATOM     15  O   LIG    1        1.003   5.185  -0.146  0.00  0.00    -0.463 OA
ATOM     16  C   LIG    1        1.042   6.539  -0.086  0.00  0.00    +0.196 A 
ATOM     17  C   LIG    1       -0.112   7.028   0.475  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1       -0.909   5.896   0.778  0.00  0.00    +0.050 A 
ENDBRANCH   4  14
BRANCH   2  19
ATOM     19  N   LIG    1        1.204   0.062  -0.417  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1        0.826  -0.877  -0.308  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        2.471   0.226  -0.924  0.00  0.00    +0.250 C 
ATOM     22  O   LIG    1        3.057   1.289  -1.100  0.00  0.00    -0.270 OA
BRANCH  21  23
ATOM     23  C   LIG    1        3.155  -1.022  -1.365  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        3.140  -2.234  -0.662  0.00  0.00    +0.053 A 
ATOM     25 CL   LIG    1        2.362  -2.443   0.866  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1        3.813  -3.349  -1.181  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1        4.507  -3.260  -2.389  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.541  -2.054  -3.083  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        3.872  -0.941  -2.572  0.00  0.00    +0.014 A 
ENDBRANCH  21  23
ENDBRANCH   2  19
TORSDOF 4