REMARK  Name = BDB045123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.623  -0.921  -0.825  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -2.265   0.434  -0.945  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -1.148   0.919  -0.254  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1       -0.362   0.079   0.558  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        0.870   0.624   1.276  0.00  0.00    +0.189 C 
ATOM      6  N   LIG    1        1.504  -0.358   2.138  0.00  0.00    -0.261 N 
ATOM      7  C   LIG    1        0.686  -1.388   2.746  0.00  0.00    +0.116 C 
ATOM      8  C   LIG    1       -0.020  -2.190   1.654  0.00  0.00    +0.055 C 
ATOM      9  C   LIG    1        2.791  -0.659   1.706  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        3.512  -1.565   2.078  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        3.131   0.294   0.651  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1        4.335   0.452  -0.011  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        4.409   1.459  -0.972  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        3.294   2.273  -1.237  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        2.085   2.085  -0.554  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        2.003   1.069   0.387  0.00  0.00    +0.019 A 
ATOM     17  C   LIG    1       -0.772  -1.263   0.722  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1       -1.879  -1.757   0.013  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  20
ATOM     19  C   LIG    1       -4.066  -2.699  -1.512  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -3.721  -1.322  -1.545  0.00  0.00    -0.491 OA
ENDBRANCH   1  20
BRANCH   2  21
ATOM     21  O   LIG    1       -3.062   1.198  -1.762  0.00  0.00    -0.491 OA
ATOM     22  C   LIG    1       -2.778   2.586  -1.855  0.00  0.00    +0.277 C 
ENDBRANCH   2  21
BRANCH   5  23
ATOM     23  O   LIG    1        0.494   1.692   2.118  0.00  0.00    -0.364 OA
ATOM     24  H   LIG    1        0.915   1.462   2.962  0.00  0.00    +0.213 HD
ENDBRANCH   5  23
TORSDOF 3