REMARK  Name = BDB053576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.778   0.001  -0.465  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -1.060  -1.203  -0.461  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        0.252  -1.253  -0.942  0.00  0.00    +0.085 A 
ATOM      4 CL   LIG    1        1.069  -2.773  -0.943  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1        0.861  -0.089  -1.415  0.00  0.00    +0.147 A 
ATOM      6  C   LIG    1        0.145   1.107  -1.450  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -1.167   1.152  -0.967  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1       -3.786   2.166  -0.167  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -3.994   1.001   0.156  0.00  0.00    +0.252 C 
ATOM     10  N   LIG    1       -3.093  -0.038   0.040  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1       -3.425  -0.944   0.365  0.00  0.00    +0.155 HD
BRANCH   9  12
ATOM     12  C   LIG    1       -5.339   0.656   0.732  0.00  0.00    +0.081 A 
ATOM     13  C   LIG    1       -5.721  -0.626   1.156  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1       -7.006  -0.842   1.680  0.00  0.00    +0.084 A 
ATOM     15 CL   LIG    1       -7.476  -2.419   2.202  0.00  0.00    -0.080 Cl
ATOM     16  C   LIG    1       -7.918   0.204   1.788  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1       -7.543   1.475   1.369  0.00  0.00    +0.043 A 
ATOM     18 CL   LIG    1       -8.661   2.776   1.498  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -6.270   1.705   0.846  0.00  0.00    +0.036 A 
BRANCH  13  20
ATOM     20  O   LIG    1       -4.846  -1.684   1.065  0.00  0.00    -0.505 OA
ATOM     21  H   LIG    1       -5.309  -2.476   1.409  0.00  0.00    +0.292 HD
ENDBRANCH  13  20
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   5  22
ATOM     22  O   LIG    1        2.134  -0.091  -1.929  0.00  0.00    -0.455 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.188  -0.020  -1.040  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1        4.429  -0.395  -1.563  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1        5.588  -0.360  -0.771  0.00  0.00    -0.014 A 
ATOM     26  C   LIG    1        5.494   0.070   0.572  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        6.653   0.106   1.365  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        7.888  -0.277   0.840  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        7.981  -0.700  -0.483  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        4.244   0.453   1.083  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1        6.839  -0.741  -1.284  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1        3.099   0.412   0.283  0.00  0.00    +0.047 A 
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 5