REMARK  Name = BDB048539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.603  -2.317  -0.815  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1        0.260  -1.870  -0.918  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -0.690  -2.694  -1.537  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -0.321  -3.938  -2.049  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        1.011  -4.365  -1.942  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        1.978  -3.560  -1.326  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -0.066  -0.594  -0.399  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -0.336   0.395  -1.470  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -0.906   1.695  -0.863  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -2.180   1.527  -0.125  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -2.381   0.118   0.292  0.00  0.00    +0.103 C 
ATOM     12  C   LIG    1       -1.075  -0.608   0.690  0.00  0.00    +0.120 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -3.323   2.029  -0.904  0.00  0.00    +0.119 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.620   2.058  -0.123  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1       -5.736   1.331  -0.562  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -6.932   1.367   0.157  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -7.026   2.131   1.319  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.925   2.860   1.764  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.729   2.825   1.046  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   2   7
BRANCH   1  21
ATOM     20  C   LIG    1        3.830  -1.578   0.078  0.00  0.00    +0.250 C 
ATOM     21  N   LIG    1        2.485  -1.431  -0.160  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1        2.011  -0.583   0.150  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        4.528  -2.532  -0.246  0.00  0.00    -0.270 OA
BRANCH  20  28
ATOM     24  C   LIG    1        4.756   3.312   1.263  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        4.913   1.831   1.472  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.283   0.881   0.640  0.00  0.00    +0.059 A 
ATOM     27 CL   LIG    1        3.336   1.445  -0.701  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        4.461  -0.494   0.879  0.00  0.00    +0.056 A 
ATOM     29  C   LIG    1        5.297  -0.918   1.926  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1        5.925   0.015   2.745  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        5.726   1.371   2.515  0.00  0.00    +0.128 A 
ATOM     32  F   LIG    1        6.343   2.248   3.320  0.00  0.00    -0.205 F 
ENDBRANCH  20  28
ENDBRANCH   1  21
BRANCH   5  33
ATOM     33  N   LIG    1        1.391  -5.676  -2.483  0.00  0.00    +0.056 N 
ATOM     34  O   LIG    1        2.535  -6.091  -2.258  0.00  0.00    -0.126 OA
ATOM     35  O   LIG    1        0.536  -6.296  -3.134  0.00  0.00    -0.126 OA
ENDBRANCH   5  33
TORSDOF 6