REMARK  Name = BDB053928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.240   0.474   0.693  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1        0.419   0.947  -0.315  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        0.853   1.248  -1.177  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.827   0.366   1.845  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.357  -0.761  -2.118  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1        3.104  -0.336  -0.903  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        2.595   0.164   0.284  0.00  0.00    +0.097 A 
ATOM      8  S   LIG    1        3.874   0.386   1.404  0.00  0.00    -0.062 S 
ATOM      9  C   LIG    1        5.020  -0.130   0.230  0.00  0.00    +0.109 A 
ATOM     10  N   LIG    1        4.485  -0.469  -0.928  0.00  0.00    -0.243 NA
BRANCH   9  11
ATOM     11  C   LIG    1        6.472  -0.181   0.508  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        7.344  -0.571  -0.528  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        8.726  -0.638  -0.328  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        9.251  -0.317   0.914  0.00  0.00    +0.123 A 
ATOM     15  F   LIG    1       10.575  -0.380   1.111  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        8.421   0.070   1.958  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        7.038   0.137   1.756  0.00  0.00    +0.013 A 
ENDBRANCH   9  11
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1       -0.945   1.397  -0.041  0.00  0.00    +0.090 C 
ATOM     19  C   LIG    1       -1.866   0.245   0.455  0.00  0.00    +0.127 C 
ATOM     20  N   LIG    1       -3.277   0.466   0.079  0.00  0.00    -0.328 N 
ATOM     21  C   LIG    1       -3.689   1.873   0.088  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1       -2.949   2.611  -1.029  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1       -1.539   2.069  -1.284  0.00  0.00    +0.025 C 
BRANCH  20  24
ATOM     24  C   LIG    1       -4.232  -0.508   0.377  0.00  0.00    +0.031 A 
ATOM     25  C   LIG    1       -5.509  -0.461  -0.210  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -6.486  -1.435   0.055  0.00  0.00    +0.061 A 
ATOM     27  C   LIG    1       -6.192  -2.496   0.912  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -4.931  -2.582   1.488  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -3.966  -1.604   1.215  0.00  0.00    +0.023 A 
BRANCH  26  30
ATOM     30  C   LIG    1       -7.833  -1.384  -0.560  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1       -8.719  -2.204  -0.405  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -8.018  -0.303  -1.340  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -8.936  -0.409  -1.667  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  20  24
ENDBRANCH   2  18
TORSDOF 6