REMARK  Name = BDB059335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.443   0.136  -3.140  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.712   0.175  -2.153  0.00  0.00    +0.260 C 
ATOM      3  N   LIG    1        1.211   0.098  -0.864  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.623  -0.299  -0.127  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.758   0.275  -2.297  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -1.609   0.686  -1.265  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -2.995   0.753  -1.477  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.451   0.401  -2.748  0.00  0.00    +0.119 A 
ATOM      9  N   LIG    1       -2.656   0.010  -3.773  0.00  0.00    -0.262 NA
ATOM     10  C   LIG    1       -1.326  -0.038  -3.525  0.00  0.00    +0.123 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -3.917   1.175  -0.414  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1       -3.737   2.395   0.259  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -4.615   2.796   1.270  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.686   1.981   1.627  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.882   0.768   0.974  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.005   0.368  -0.039  0.00  0.00    +0.008 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.687  -0.335  -0.764  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        3.130  -0.330  -1.698  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.899  -1.888  -0.071  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        3.546  -2.697  -1.082  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        1.639  -2.283   0.526  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.055  -1.565   1.210  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        3.676  -0.746   2.266  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1        2.459  -0.186   2.311  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        4.569  -0.483   3.302  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        5.845  -1.048   3.278  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        6.225  -1.875   2.219  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.330  -2.138   1.180  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5