REMARK  Name = BDB063695
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.382  -0.464  -1.419  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -1.396   0.535  -1.577  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.215  -1.065  -0.985  0.00  0.00    +0.280 C 
ATOM      4  O   LIG    1       -0.198  -2.271  -0.737  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -5.751  -0.368   1.175  0.00  0.00    -0.010 C 
ATOM      6  C   LIG    1       -4.600  -0.843   2.054  0.00  0.00    +0.108 C 
ATOM      7  S   LIG    1       -2.961  -0.637   1.284  0.00  0.00    -0.131 S 
ATOM      8  C   LIG    1       -3.445  -1.529  -0.218  0.00  0.00    +0.169 C 
ATOM      9  N   LIG    1       -4.545  -0.815  -0.829  0.00  0.00    -0.249 N 
ATOM     10  C   LIG    1       -3.903  -0.444  -1.959  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -4.190   0.305  -2.864  0.00  0.00    -0.273 OA
ATOM     12  CA  LIG    1       -2.642  -1.247  -1.527  0.00  0.00    +0.191 C 
ATOM     13  CA  LIG    1       -5.635  -0.310  -0.178  0.00  0.00    +0.126 C 
BRANCH   5  15
ATOM     14  C   LIG    1       -7.255  -0.161   3.177  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -6.966   0.050   1.885  0.00  0.00    -0.001 C 
ENDBRANCH   5  15
BRANCH  13  16
ATOM     16  C   LIG    1       -6.694   0.289  -1.044  0.00  0.00    +0.352 C 
ATOM     17  O   LIG    1       -7.245   1.365  -0.898  0.00  0.00    -0.244 OA
BRANCH  16  18
ATOM     18  OXT LIG    1       -7.017  -0.541  -2.055  0.00  0.00    -0.476 OA
ATOM     19  HXT LIG    1       -7.646  -0.019  -2.595  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   1  12
BRANCH   3  20
ATOM     20  C   LIG    1        0.932  -0.188  -0.855  0.00  0.00    +0.190 A 
ATOM     21  O   LIG    1        2.112  -0.742  -0.433  0.00  0.00    -0.452 OA
ATOM     22  C   LIG    1        3.048   0.247  -0.380  0.00  0.00    +0.143 A 
ATOM     23  C   LIG    1        2.482   1.443  -0.767  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        1.127   1.166  -1.072  0.00  0.00    +0.055 A 
BRANCH  22  25
ATOM     25  C   LIG    1        4.404  -0.169   0.065  0.00  0.00    +0.303 C 
BRANCH  25  26
ATOM     26  O   LIG    1        5.240   0.986   0.022  0.00  0.00    -0.483 OA
BRANCH  26  27
ATOM     27  C   LIG    1        6.550   0.846   0.396  0.00  0.00    +0.135 A 
ATOM     28  C   LIG    1        7.347   2.003   0.350  0.00  0.00    +0.061 A 
ATOM     29 BR   LIG    1        6.633   3.676  -0.207  0.00  0.00    -0.046 Br
ATOM     30  C   LIG    1        8.697   1.963   0.712  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        9.257   0.759   1.125  0.00  0.00    +0.042 A 
ATOM     32 CL   LIG    1       10.916   0.697   1.574  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1        8.483  -0.398   1.178  0.00  0.00    +0.023 A 
ATOM     34  C   LIG    1        7.132  -0.355   0.815  0.00  0.00    +0.048 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   3  20
TORSDOF 8