REMARK  Name = BDB035957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.955  -1.649  -0.140  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.433  -1.422  -0.262  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.911  -1.507   1.032  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.254  -1.339   1.390  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.182  -1.056   0.360  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        2.715  -0.977  -0.954  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        3.435  -0.641  -2.210  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        2.378  -1.059  -3.234  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1        1.076  -1.010  -2.609  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1       -0.127  -1.767   1.869  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        1.365  -1.153  -1.260  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1       -1.301  -1.854   1.135  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.834  -1.641  -1.213  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1       -1.493  -1.307  -2.112  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -3.499  -1.596  -1.065  0.00  0.00    +0.081 S 
ATOM     16  O   LIG    1       -4.006  -1.279  -2.388  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -3.898  -2.824  -0.409  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -3.218   1.039  -0.356  0.00  0.00    +0.150 A 
ATOM     19  C   LIG    1       -3.824  -0.187  -0.044  0.00  0.00    +0.191 A 
ATOM     20  C   LIG    1       -4.679  -0.264   1.059  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1       -4.908   0.869   1.850  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -4.261   2.071   1.566  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -3.413   2.155   0.465  0.00  0.00    +0.048 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -2.978   1.944  -2.466  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -2.376   1.158  -1.433  0.00  0.00    -0.493 OA
ENDBRANCH  18  25
BRANCH  20  26
ATOM     26  O   LIG    1       -5.408  -1.388   1.332  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1       -4.907  -2.061   2.489  0.00  0.00    +0.277 C 
ENDBRANCH  20  26
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  28
ATOM     28  C   LIG    1        4.632  -0.828   0.713  0.00  0.00    +0.179 C 
BRANCH  28  29
ATOM     29  N   LIG    1        4.822   0.458   1.373  0.00  0.00    -0.266 N 
ATOM     30  N   LIG    1        4.933   0.518   2.718  0.00  0.00    -0.178 NA
ATOM     31  C   LIG    1        5.096   1.822   2.966  0.00  0.00    +0.153 A 
ATOM     32  C   LIG    1        5.106   2.589   1.790  0.00  0.00    +0.089 A 
ATOM     33  C   LIG    1        4.936   1.681   0.769  0.00  0.00    +0.127 A 
BRANCH  32  34
ATOM     34  C   LIG    1        5.258   3.998   1.665  0.00  0.00    +0.102 C 
ATOM     35  N   LIG    1        5.384   5.147   1.557  0.00  0.00    -0.191 NA
ENDBRANCH  32  34
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8