REMARK  Name = BDB055771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.254   3.030  -0.945  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.120   1.929  -0.938  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -0.664   0.680  -0.510  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        0.677   0.508  -0.074  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        1.528   1.618  -0.088  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        1.070   2.867  -0.520  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        1.079  -0.765   0.371  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        2.286  -1.362  -0.239  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        3.586  -1.127   0.565  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        3.449  -1.412   2.008  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        4.686  -1.099   2.720  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        2.316  -0.642   2.561  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        0.989  -0.954   1.837  0.00  0.00    +0.120 C 
ENDBRANCH   4   7
BRANCH   3  14
ATOM     14  N   LIG    1       -1.462  -0.485  -0.496  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1       -0.944  -1.298  -0.168  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -2.770  -0.636  -0.889  0.00  0.00    +0.250 C 
ATOM     17  O   LIG    1       -3.508   0.231  -1.343  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -3.295  -2.022  -0.818  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1       -3.189  -2.842   0.312  0.00  0.00    +0.053 A 
ATOM     20 CL   LIG    1       -2.481  -2.317   1.797  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -3.709  -4.142   0.278  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1       -4.341  -4.621  -0.872  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.467  -3.800  -1.990  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -3.951  -2.504  -1.963  0.00  0.00    +0.014 A 
ENDBRANCH  16  18
ENDBRANCH   3  14
BRANCH   1  25
ATOM     25  C   LIG    1       -0.780   4.343  -1.411  0.00  0.00    +0.339 C 
ATOM     26  O   LIG    1       -1.924   4.524  -1.796  0.00  0.00    -0.245 OA
BRANCH  25  28
ATOM     27  C   LIG    1       -0.244   6.587  -1.772  0.00  0.00    +0.280 C 
ATOM     28  O   LIG    1        0.187   5.295  -1.342  0.00  0.00    -0.464 OA
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 5