REMARK  Name = BDB049053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.059   1.535  -1.768  0.00  0.00    +0.053 A 
ATOM      2  C   LIG    1        0.370   2.658  -2.508  0.00  0.00    +0.064 A 
ATOM      3 CL   LIG    1       -0.765   3.607  -3.404  0.00  0.00    -0.082 Cl
ATOM      4  C   LIG    1        1.712   3.033  -2.542  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1        2.639   2.277  -1.819  0.00  0.00    +0.169 A 
ATOM      6  C   LIG    1        2.256   1.161  -1.071  0.00  0.00    +0.153 A 
ATOM      7  C   LIG    1        0.907   0.788  -1.072  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   8
ATOM      8  N   LIG    1        4.029   2.688  -1.858  0.00  0.00    +0.060 N 
ATOM      9  O   LIG    1        4.538   2.833  -2.978  0.00  0.00    -0.126 OA
ATOM     10  O   LIG    1        4.591   2.914  -0.777  0.00  0.00    -0.126 OA
ENDBRANCH   5   8
BRANCH   1  11
ATOM     11  N   LIG    1       -1.424   1.174  -1.746  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1       -1.976   1.670  -2.445  0.00  0.00    +0.152 HD
BRANCH  11  20
ATOM     13  O   LIG    1       -6.472  -2.562   2.667  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -5.758  -2.089   1.785  0.00  0.00    +0.218 C 
ATOM     15  N   LIG    1       -4.666  -1.324   2.098  0.00  0.00    -0.285 N 
ATOM     16  H   LIG    1       -4.468  -1.226   3.086  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1       -3.850  -0.700   1.152  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1       -4.239  -0.676  -0.189  0.00  0.00    -0.024 A 
ATOM     19  C   LIG    1       -3.424  -0.029  -1.128  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1       -2.221   0.585  -0.746  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -1.855   0.543   0.605  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -5.574  -1.248  -0.577  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1       -2.669  -0.085   1.554  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -5.957  -2.411   0.322  0.00  0.00    +0.101 C 
ENDBRANCH  11  20
ENDBRANCH   1  11
BRANCH   6  25
ATOM     25  O   LIG    1        3.219   0.408  -0.460  0.00  0.00    -0.486 OA
BRANCH  25  26
ATOM     26  C   LIG    1        2.926  -0.042   0.876  0.00  0.00    +0.178 C 
ATOM     27  C   LIG    1        4.056   0.432   1.793  0.00  0.00    +0.072 C 
ATOM     28  C   LIG    1        5.355  -0.298   1.482  0.00  0.00    +0.163 C 
ATOM     29  O   LIG    1        5.162  -1.710   1.581  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1        4.219  -2.185   0.622  0.00  0.00    +0.163 C 
ATOM     31  C   LIG    1        2.848  -1.570   0.874  0.00  0.00    +0.072 C 
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 5