REMARK  Name = BDB048241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.484  -0.252  -0.549  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        0.217  -0.818  -0.312  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.918   0.004  -0.123  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.738   1.387  -0.167  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -1.964   1.969   0.051  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -2.127   2.966   0.074  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -2.934   1.015   0.229  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -4.310   1.149   0.474  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -5.151   2.383   0.655  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -6.562   1.815   0.450  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -6.521   0.349   0.911  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -5.098  -0.002   0.625  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -4.505  -1.233   0.538  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -5.060  -2.579   0.665  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -6.221  -2.854   0.890  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -4.021  -3.436   0.483  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -4.111  -4.438   0.511  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -2.845  -2.790   0.247  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1       -1.768  -3.311   0.039  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -3.141  -1.359   0.287  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        0.505   1.985  -0.393  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -2.308  -0.240   0.126  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        1.606   1.142  -0.582  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  27
ATOM     24  C   LIG    1        4.861  -1.464  -0.867  0.00  0.00    +0.096 A 
ATOM     25  S   LIG    1        4.250  -3.027  -1.228  0.00  0.00    -0.078 S 
ATOM     26  C   LIG    1        2.652  -2.425  -1.069  0.00  0.00    +0.075 A 
ATOM     27  C   LIG    1        2.673  -1.080  -0.751  0.00  0.00    +0.078 A 
ATOM     28  N   LIG    1        3.949  -0.536  -0.646  0.00  0.00    -0.242 NA
BRANCH  24  29
ATOM     29  C   LIG    1        6.342  -1.233  -0.826  0.00  0.00    +0.167 C 
BRANCH  29  32
ATOM     30  C   LIG    1        7.962   1.994   0.310  0.00  0.00    +0.109 C 
ATOM     31  C   LIG    1        7.874   0.578  -0.189  0.00  0.00    +0.210 C 
ATOM     32  N   LIG    1        6.600   0.103  -0.330  0.00  0.00    -0.309 N 
ATOM     33  H   LIG    1        5.790   0.690  -0.160  0.00  0.00    +0.149 HD
ATOM     34  O   LIG    1        8.872  -0.087  -0.450  0.00  0.00    -0.276 OA
ENDBRANCH  29  32
ENDBRANCH  24  29
ENDBRANCH   1  27
TORSDOF 3