REMARK  Name = BDB063697
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.166  -0.542  -1.640  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -1.323   0.458  -1.617  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.042  -1.044  -1.194  0.00  0.00    +0.280 C 
ATOM      4  O   LIG    1        0.226  -2.260  -1.141  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -5.691  -1.169   0.486  0.00  0.00    -0.010 C 
ATOM      6  C   LIG    1       -4.605  -1.725   1.406  0.00  0.00    +0.108 C 
ATOM      7  S   LIG    1       -2.897  -1.380   0.859  0.00  0.00    -0.131 S 
ATOM      8  C   LIG    1       -3.215  -1.949  -0.828  0.00  0.00    +0.169 C 
ATOM      9  N   LIG    1       -4.225  -1.074  -1.376  0.00  0.00    -0.249 N 
ATOM     10  C   LIG    1       -3.585  -0.759  -2.518  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -3.907  -0.131  -3.497  0.00  0.00    -0.273 OA
ATOM     12  CA  LIG    1       -2.289  -1.457  -1.982  0.00  0.00    +0.191 C 
ATOM     13  CA  LIG    1       -5.434  -0.836  -0.805  0.00  0.00    +0.126 C 
BRANCH   5  15
ATOM     14  C   LIG    1       -7.412  -1.377   2.307  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -7.014  -0.973   1.093  0.00  0.00    -0.001 C 
ENDBRANCH   5  15
BRANCH  13  16
ATOM     16  C   LIG    1       -6.442  -0.148  -1.650  0.00  0.00    +0.352 C 
ATOM     17  O   LIG    1       -7.447  -0.646  -2.124  0.00  0.00    -0.244 OA
BRANCH  16  18
ATOM     18  OXT LIG    1       -6.120   1.145  -1.827  0.00  0.00    -0.476 OA
ATOM     19  HXT LIG    1       -6.786   1.476  -2.463  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   1  12
BRANCH   3  20
ATOM     20  C   LIG    1        1.030  -0.053  -0.811  0.00  0.00    +0.190 A 
ATOM     21  O   LIG    1        2.241  -0.505  -0.355  0.00  0.00    -0.452 OA
ATOM     22  C   LIG    1        3.009   0.580  -0.053  0.00  0.00    +0.143 A 
ATOM     23  C   LIG    1        2.304   1.735  -0.312  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        1.036   1.332  -0.798  0.00  0.00    +0.055 A 
BRANCH  22  25
ATOM     25  C   LIG    1        4.371   0.283   0.464  0.00  0.00    +0.303 C 
BRANCH  25  26
ATOM     26  O   LIG    1        5.013   1.532   0.716  0.00  0.00    -0.483 OA
BRANCH  26  27
ATOM     27  C   LIG    1        6.292   1.510   1.205  0.00  0.00    +0.140 A 
ATOM     28  C   LIG    1        6.895   2.759   1.446  0.00  0.00    +0.085 A 
ATOM     29 CL   LIG    1        6.050   4.238   1.136  0.00  0.00    -0.080 Cl
ATOM     30  C   LIG    1        8.195   2.844   1.944  0.00  0.00    +0.062 A 
ATOM     31  C   LIG    1        8.897   1.676   2.203  0.00  0.00    +0.125 A 
ATOM     32  F   LIG    1       10.146   1.748   2.681  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        8.324   0.431   1.973  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        7.021   0.345   1.474  0.00  0.00    +0.050 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   3  20
TORSDOF 8