REMARK  Name = BDB004076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.439  -0.839  -2.669  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -2.207  -0.273  -1.599  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.706   0.374  -0.451  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -2.812   0.716   0.344  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -2.674   1.348   1.565  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -1.381   1.652   1.992  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -0.267   1.319   1.201  0.00  0.00    +0.010 A 
ATOM      8  N   LIG    1       -3.979   0.301  -0.321  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1       -0.410   0.667  -0.038  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -3.610  -0.349  -1.516  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1       -4.367  -0.875  -2.316  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -5.338   0.379   0.191  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1       -5.738  -1.020   0.702  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1       -4.934  -1.810   1.201  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -7.073  -1.367   0.682  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -7.208  -2.335   0.947  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -8.151  -0.616   1.079  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -9.143  -1.177   1.544  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -8.047   0.890   1.055  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1       -7.608   1.479  -0.277  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -6.316   0.909  -0.865  0.00  0.00    +0.035 C 
ENDBRANCH   8  12
BRANCH   9  22
ATOM     22  C   LIG    1        0.806   0.359  -0.795  0.00  0.00    -0.040 C 
ATOM     23  C   LIG    1        1.541  -0.910  -0.448  0.00  0.00    +0.051 C 
ATOM     24  C   LIG    1        2.625  -1.247  -1.490  0.00  0.00    +0.090 C 
ATOM     25  N   LIG    1        3.408  -0.085  -1.953  0.00  0.00    -0.289 NA
ATOM     26  C   LIG    1        2.511   0.924  -2.537  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1        1.257   1.191  -1.750  0.00  0.00    -0.007 C 
BRANCH  25  28
ATOM     28  C   LIG    1        4.255   0.507  -0.890  0.00  0.00    +0.206 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.372  -0.428  -0.417  0.00  0.00    +0.322 C 
ATOM     30  O   LIG    1        5.755  -1.446  -0.975  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1        5.898   0.081   0.737  0.00  0.00    -0.458 OA
BRANCH  31  32
ATOM     32  C   LIG    1        6.987  -0.595   1.418  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1        6.566  -1.990   1.894  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        7.276   0.276   2.650  0.00  0.00    +0.055 C 
ATOM     35  C   LIG    1        8.246  -0.641   0.545  0.00  0.00    +0.055 C 
ENDBRANCH  31  32
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH   9  22
TORSDOF 6