REMARK  Name = BDB056252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.118  -1.188  -1.231  0.00  0.00    +0.075 A 
ATOM      2  S   LIG    1        0.001  -2.481  -1.324  0.00  0.00    -0.079 S 
ATOM      3  C   LIG    1       -1.119  -1.687  -0.302  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1       -0.643  -0.457   0.111  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        0.639  -0.162  -0.439  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1   7
ATOM      6  O   LIG    1        2.396  -1.639  -3.153  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        2.365  -1.270  -1.978  0.00  0.00    +0.253 C 
ATOM      8  N   LIG    1        3.542  -0.852  -1.321  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1        3.749  -1.150   0.098  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1        4.807  -0.246   0.722  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        6.120  -0.306  -0.078  0.00  0.00    +0.060 C 
ATOM     12  C   LIG    1        5.833   0.067  -1.542  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1        4.757  -0.842  -2.131  0.00  0.00    +0.109 C 
BRANCH  11  14
ATOM     14  N   LIG    1        7.160   0.477   0.601  0.00  0.00    -0.299 NA
ATOM     15  C   LIG    1        7.019   1.931   0.580  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1        8.342   2.393   1.173  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1        9.342   1.303   0.805  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1        8.520   0.212   0.133  0.00  0.00    +0.085 C 
ENDBRANCH  11  14
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  C   LIG    1       -2.365  -2.355   0.044  0.00  0.00    +0.253 C 
ATOM     20  N   LIG    1       -3.542  -1.575   0.040  0.00  0.00    -0.297 N 
ATOM     21  C   LIG    1       -3.756  -0.558  -0.993  0.00  0.00    +0.109 C 
ATOM     22  C   LIG    1       -4.813   0.461  -0.580  0.00  0.00    +0.038 C 
ATOM     23  C   LIG    1       -6.122  -0.240  -0.179  0.00  0.00    +0.060 C 
ATOM     24  C   LIG    1       -5.827  -1.252   0.941  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1       -4.754  -2.245   0.503  0.00  0.00    +0.109 C 
ATOM     26  O   LIG    1       -2.398  -3.541   0.375  0.00  0.00    -0.269 OA
BRANCH  23  27
ATOM     27  N   LIG    1       -7.163   0.757   0.103  0.00  0.00    -0.299 NA
ATOM     28  C   LIG    1       -7.013   1.552   1.319  0.00  0.00    +0.085 C 
ATOM     29  C   LIG    1       -8.338   2.298   1.383  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1       -9.342   1.381   0.693  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1       -8.521   0.217   0.156  0.00  0.00    +0.085 C 
ENDBRANCH  23  27
ENDBRANCH   3  19
TORSDOF 4