REMARK  Name = BDB058951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.401   0.098  -0.182  0.00  0.00    +0.103 A 
ATOM      2  C   LIG    1       -1.039   0.953   0.839  0.00  0.00    +0.189 A 
ATOM      3  O   LIG    1       -1.778   0.640   1.944  0.00  0.00    -0.352 OA
ATOM      4  N   LIG    1       -2.645  -0.398   1.661  0.00  0.00    -0.076 NA
ATOM      5  C   LIG    1       -2.435  -0.713   0.377  0.00  0.00    +0.137 A 
ENDROOT
BRANCH   5   6
ATOM      6  C   LIG    1       -3.179  -1.801  -0.247  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -2.959  -3.139   0.157  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1       -3.712  -4.168  -0.443  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -4.652  -3.888  -1.433  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.858  -2.573  -1.837  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -4.131  -1.533  -1.250  0.00  0.00    +0.051 A 
ATOM     12 CL   LIG    1       -4.464   0.069  -1.815  0.00  0.00    -0.083 Cl
BRANCH   7  13
ATOM     13  C   LIG    1       -1.942  -3.500   1.218  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -0.738  -2.885   1.043  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -2.352  -3.219   2.481  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -1.650  -4.835   1.222  0.00  0.00    -0.166 F 
ENDBRANCH   7  13
ENDBRANCH   5   6
BRANCH   2  17
ATOM     17  C   LIG    1       -0.122   2.074   1.000  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        0.522   2.307   2.225  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        1.415   3.372   2.372  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        1.670   4.221   1.298  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        1.030   4.009   0.079  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        0.140   2.943  -0.068  0.00  0.00    +0.012 A 
ENDBRANCH   2  17
BRANCH   1  23
ATOM     23  N   LIG    1       -0.891   0.040  -1.454  0.00  0.00    -0.335 N 
ATOM     24  H   LIG    1       -1.588  -0.206  -2.157  0.00  0.00    +0.147 HD
BRANCH  23  25
ATOM     25  C   LIG    1        0.268  -0.841  -1.673  0.00  0.00    +0.137 C 
BRANCH  25  29
ATOM     26  C   LIG    1        3.892   0.937  -0.137  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1        3.376   1.345  -1.372  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        2.213   0.759  -1.875  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        1.552  -0.245  -1.153  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        2.083  -0.660   0.078  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1        3.245  -0.072   0.585  0.00  0.00    +0.015 A 
BRANCH  26  33
ATOM     32  O   LIG    1        5.722   2.501  -0.190  0.00  0.00    -0.245 OA
ATOM     33  C   LIG    1        5.112   1.609   0.371  0.00  0.00    +0.337 C 
BRANCH  33  34
ATOM     34  O   LIG    1        5.520   1.128   1.559  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1        6.317   1.660   1.762  0.00  0.00    +0.295 HD
ENDBRANCH  33  34
ENDBRANCH  26  33
ENDBRANCH  25  29
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 8