REMARK  Name = BDB011151
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.744  -1.455   1.233  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -2.421  -1.570   0.760  0.00  0.00    +0.114 A 
ATOM      3  N   LIG    1       -1.945  -2.781   0.398  0.00  0.00    -0.250 NA
ATOM      4  C   LIG    1       -0.650  -2.905   0.050  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1        0.207  -1.832  -0.049  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -0.283  -0.555   0.167  0.00  0.00    +0.070 A 
ATOM      7  N   LIG    1        0.579   0.530  -0.205  0.00  0.00    -0.289 N 
ATOM      8  C   LIG    1        1.977   0.342  -0.304  0.00  0.00    +0.338 A 
ATOM      9  O   LIG    1        2.698   1.264  -0.694  0.00  0.00    -0.246 OA
ATOM     10  N   LIG    1        2.439  -0.953  -0.035  0.00  0.00    -0.222 N 
ATOM     11  C   LIG    1        1.629  -2.042  -0.324  0.00  0.00    +0.271 A 
ATOM     12  O   LIG    1        1.964  -3.146  -0.745  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -1.601  -0.413   0.700  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -2.116   0.786   1.252  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.419   0.880   1.732  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.242  -0.235   1.702  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -0.004   1.723  -0.860  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1        0.445   3.072  -0.264  0.00  0.00    +0.025 C 
ATOM     19  C   LIG    1        0.965   3.897  -1.439  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1        0.271   3.308  -2.656  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1        0.280   1.814  -2.373  0.00  0.00    +0.025 C 
ENDBRANCH   7  17
BRANCH  10  22
ATOM     22  C   LIG    1        3.821  -1.179   0.146  0.00  0.00    +0.092 A 
ATOM     23  S   LIG    1        4.761   0.032   0.933  0.00  0.00    -0.079 S 
ATOM     24  C   LIG    1        6.185  -0.903   0.872  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        5.960  -2.138   0.316  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        4.598  -2.305  -0.077  0.00  0.00    +0.034 A 
ENDBRANCH  10  22
BRANCH   1  28
ATOM     27  C   LIG    1       -5.827  -2.566   1.676  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -4.485  -2.619   1.214  0.00  0.00    -0.493 OA
ENDBRANCH   1  28
TORSDOF 3