REMARK  Name = BDB059288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.459   0.371  -1.425  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -1.313   0.739  -1.172  0.00  0.00    +0.262 C 
ATOM      3  N   LIG    1       -1.059   1.921  -0.501  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.154   2.083  -0.054  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.152  -0.102  -1.565  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        1.166   0.221  -1.221  0.00  0.00    +0.143 A 
ATOM      7  F   LIG    1        1.411   1.337  -0.514  0.00  0.00    -0.204 F 
ATOM      8  C   LIG    1        2.249  -0.594  -1.599  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        1.969  -1.757  -2.338  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        0.658  -2.085  -2.684  0.00  0.00    +0.042 A 
ATOM     11 CL   LIG    1        0.348  -3.516  -3.585  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1       -0.401  -1.267  -2.302  0.00  0.00    +0.036 A 
BRANCH   8  13
ATOM     13  C   LIG    1        3.636  -0.256  -1.234  0.00  0.00    -0.015 A 
ATOM     14  C   LIG    1        3.993   0.022   0.097  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        5.310   0.336   0.441  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.297   0.378  -0.540  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.967   0.107  -1.865  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        4.649  -0.207  -2.209  0.00  0.00    +0.008 A 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  N   LIG    1       -2.249   2.568   0.207  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -3.129   2.426  -0.309  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.434   2.107   1.852  0.00  0.00    +0.076 S 
ATOM     22  O   LIG    1       -3.175   3.141   2.539  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -1.122   1.687   2.310  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.460   0.680   1.778  0.00  0.00    +0.142 A 
ATOM     25  C   LIG    1       -4.651   0.741   1.069  0.00  0.00    +0.150 A 
ATOM     26  F   LIG    1       -5.010   1.860   0.425  0.00  0.00    -0.203 F 
ATOM     27  C   LIG    1       -5.481  -0.373   0.994  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -5.111  -1.556   1.637  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -3.912  -1.620   2.351  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -3.080  -0.501   2.424  0.00  0.00    +0.031 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 5