REMARK  Name = BDB003826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.589  -0.490  -0.279  0.00  0.00    -0.305 N 
ATOM      2  C   LIG    1       -0.974   0.765  -0.965  0.00  0.00    +0.202 C 
ATOM      3  C   LIG    1       -2.495   0.956  -1.133  0.00  0.00    +0.234 C 
ATOM      4  O   LIG    1       -2.927   1.872  -1.840  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1       -3.361   0.117  -0.433  0.00  0.00    -0.287 N 
ATOM      6  C   LIG    1       -2.856  -0.961   0.424  0.00  0.00    +0.127 C 
ATOM      7  C   LIG    1       -1.417  -0.748   0.903  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -4.811   0.390  -0.483  0.00  0.00    +0.162 C 
ATOM      9  C   LIG    1       -5.209   1.200   0.773  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -4.463   1.336   1.748  0.00  0.00    -0.273 OA
ATOM     11  N   LIG    1       -6.478   1.728   0.852  0.00  0.00    -0.255 N 
ATOM     12  H   LIG    1       -6.613   2.087   1.791  0.00  0.00    +0.158 HD
ATOM     13  C   LIG    1       -7.630   1.133   0.400  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1       -8.586   0.969   1.153  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -7.651   0.682  -1.037  0.00  0.00    +0.096 C 
ATOM     16  C   LIG    1       -7.016  -0.683  -1.244  0.00  0.00    +0.011 C 
ATOM     17  C   LIG    1       -5.651  -0.889  -0.586  0.00  0.00    +0.032 C 
ENDBRANCH   5   8
BRANCH   1  21
ATOM     18  C   LIG    1        3.543  -0.824   0.321  0.00  0.00    +0.077 A 
ATOM     19  C   LIG    1        2.936   0.326  -0.155  0.00  0.00    +0.127 A 
ATOM     20  N   LIG    1        1.597   0.453  -0.352  0.00  0.00    -0.239 NA
ATOM     21  C   LIG    1        0.794  -0.594  -0.060  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        1.340  -1.792   0.405  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1        2.718  -1.908   0.602  0.00  0.00    +0.020 A 
BRANCH  18  24
ATOM     24  C   LIG    1        5.004  -0.939   0.527  0.00  0.00    +0.341 C 
ATOM     25  O   LIG    1        5.533  -1.954   0.949  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        5.618   0.216   0.185  0.00  0.00    -0.455 OA
BRANCH  26  28
ATOM     27  C   LIG    1        7.517   0.217   1.754  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        7.059   0.353   0.298  0.00  0.00    +0.106 C 
ATOM     29  C   LIG    1        7.784  -0.631  -0.626  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        7.353   1.784  -0.178  0.00  0.00    +0.055 C 
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH   1  21
TORSDOF 5