REMARK  Name = BDB055758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.088   1.399  -0.590  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1       -1.408   0.889  -0.482  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.493   1.747  -0.712  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -2.280   3.085  -1.046  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -0.971   3.573  -1.151  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.130   2.737  -0.924  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -1.578  -0.476  -0.151  0.00  0.00    -0.324 N 
ATOM      8  C   LIG    1       -2.295  -0.717   1.126  0.00  0.00    +0.133 C 
ATOM      9  C   LIG    1       -3.654  -1.399   0.899  0.00  0.00    +0.178 C 
ATOM     10  O   LIG    1       -3.562  -2.642   0.186  0.00  0.00    -0.377 OA
ATOM     11  C   LIG    1       -2.500  -2.670  -0.783  0.00  0.00    +0.178 C 
ATOM     12  C   LIG    1       -2.100  -1.276  -1.287  0.00  0.00    +0.133 C 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     13  O   LIG    1        2.876   1.719  -0.623  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        2.304   0.669  -0.352  0.00  0.00    +0.250 C 
ATOM     15  N   LIG    1        0.943   0.472  -0.325  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1        0.579  -0.451  -0.094  0.00  0.00    +0.155 HD
BRANCH  14  17
ATOM     17  C   LIG    1        3.138  -0.495   0.057  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        2.896  -1.824  -0.315  0.00  0.00    +0.053 A 
ATOM     19 CL   LIG    1        1.610  -2.302  -1.365  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1        3.745  -2.842   0.141  0.00  0.00    +0.021 A 
ATOM     21  C   LIG    1        4.837  -2.543   0.956  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        5.094  -1.223   1.315  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.252  -0.204   0.865  0.00  0.00    +0.014 A 
ENDBRANCH  14  17
ENDBRANCH   1  15
BRANCH   5  24
ATOM     24  N   LIG    1       -0.755   4.984  -1.502  0.00  0.00    +0.056 N 
ATOM     25  O   LIG    1       -1.754   5.662  -1.785  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1        0.404   5.417  -1.491  0.00  0.00    -0.126 OA
ENDBRANCH   5  24
TORSDOF 4