REMARK  Name = BDB063711
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.359  -0.181  -0.728  0.00  0.00    -0.010 C 
ATOM      2  C   LIG    1       -2.428  -0.386  -1.911  0.00  0.00    +0.108 C 
ATOM      3  S   LIG    1       -0.745  -0.906  -1.433  0.00  0.00    -0.131 S 
ATOM      4  C   LIG    1       -0.558   0.408  -0.201  0.00  0.00    +0.169 C 
ATOM      5  N   LIG    1       -1.597   0.268   0.787  0.00  0.00    -0.249 N 
ATOM      6  C   LIG    1       -0.808   0.168   1.873  0.00  0.00    +0.244 C 
ATOM      7  O   LIG    1       -1.044   0.014   3.047  0.00  0.00    -0.273 OA
ATOM      8  CA  LIG    1        0.468   0.193   0.957  0.00  0.00    +0.191 C 
ATOM      9  CA  LIG    1       -2.914   0.067   0.526  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   8  10
ATOM     10  N   LIG    1        1.255  -1.067   0.978  0.00  0.00    -0.295 N 
ATOM     11  H   LIG    1        0.885  -1.866   1.486  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1        2.602  -1.227   0.739  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1        3.123  -2.268   1.141  0.00  0.00    -0.267 OA
BRANCH  12  14
ATOM     14  C   LIG    1        3.334  -0.182   0.053  0.00  0.00    +0.189 A 
ATOM     15  O   LIG    1        4.659  -0.027   0.372  0.00  0.00    -0.454 OA
ATOM     16  C   LIG    1        5.163   0.984  -0.390  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1        4.171   1.491  -1.202  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        3.006   0.732  -0.932  0.00  0.00    +0.055 A 
BRANCH  16  19
ATOM     19  C   LIG    1        6.594   1.309  -0.176  0.00  0.00    +0.182 C 
ATOM     20 CL   LIG    1        7.426   1.607  -1.720  0.00  0.00    -0.117 Cl
ENDBRANCH  16  19
ENDBRANCH  12  14
ENDBRANCH   8  10
BRANCH   1  22
ATOM     21  C   LIG    1       -5.713   0.569  -0.854  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1       -4.766  -0.352  -1.071  0.00  0.00    -0.001 C 
ENDBRANCH   1  22
BRANCH   9  23
ATOM     23  C   LIG    1       -3.839   0.097   1.685  0.00  0.00    +0.352 C 
ATOM     24  O   LIG    1       -4.194   1.097   2.284  0.00  0.00    -0.244 OA
BRANCH  23  25
ATOM     25  OXT LIG    1       -4.224  -1.140   2.043  0.00  0.00    -0.476 OA
ATOM     26  HXT LIG    1       -4.759  -0.992   2.850  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH   9  23
TORSDOF 6