REMARK  Name = BDB058853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.109  -1.959   0.323  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1       -1.646  -1.990   1.197  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1       -3.750  -2.723  -2.071  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -3.014  -2.059  -1.348  0.00  0.00    +0.262 C 
ATOM      5  N   LIG    1       -1.818  -2.550  -0.878  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1       -1.531  -3.488  -1.163  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1       -3.434  -0.709  -0.935  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -2.593   0.387  -1.109  0.00  0.00    +0.170 A 
ATOM      9  F   LIG    1       -1.383   0.249  -1.671  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1       -3.026   1.651  -0.724  0.00  0.00    +0.159 A 
ATOM     11  F   LIG    1       -2.223   2.712  -0.882  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1       -4.295   1.835  -0.180  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1       -5.150   0.742  -0.030  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -4.723  -0.531  -0.415  0.00  0.00    +0.016 A 
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  15
ATOM     15  S   LIG    1        0.440  -2.623   0.645  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1        0.402  -3.019   2.036  0.00  0.00    -0.152 OA
ATOM     17  O   LIG    1        0.754  -3.562  -0.410  0.00  0.00    -0.152 OA
BRANCH  15  18
ATOM     18  C   LIG    1        1.480  -1.204   0.477  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1        2.173  -0.709   1.586  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        2.998   0.419   1.452  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1        3.121   1.045   0.188  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        3.944   2.175   0.061  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        4.638   2.680   1.161  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.518   2.063   2.403  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        2.420   0.526  -0.913  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        3.703   0.940   2.549  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        1.605  -0.598  -0.773  0.00  0.00    +0.029 A 
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 4