REMARK  Name = BDB007721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.458   0.390   1.267  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        2.151  -1.612   2.294  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1        2.612  -0.829   1.469  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1        1.850   0.163   0.900  0.00  0.00    -0.309 N 
ATOM      5  H   LIG    1        2.291   0.799   0.244  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        4.048  -0.929   1.049  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1        4.629  -0.190   0.003  0.00  0.00    +0.174 A 
ATOM      8  O   LIG    1        3.849   0.688  -0.716  0.00  0.00    -0.484 OA
ATOM      9  C   LIG    1        4.465   1.079  -1.949  0.00  0.00    +0.270 C 
ATOM     10  C   LIG    1        5.908   1.475  -1.711  0.00  0.00    +0.270 C 
ATOM     11  O   LIG    1        6.660   0.345  -1.261  0.00  0.00    -0.485 OA
ATOM     12  C   LIG    1        5.995  -0.356  -0.285  0.00  0.00    +0.163 A 
ATOM     13  C   LIG    1        6.767  -1.277   0.422  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        6.192  -2.025   1.444  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        4.844  -1.848   1.758  0.00  0.00    +0.017 A 
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -0.475  -0.660   0.643  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -0.333  -0.654  -0.787  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        0.623  -0.772  -0.941  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -1.953  -0.469   1.058  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.503   0.900   0.933  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -3.850   0.986   1.535  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -4.971   0.409   0.695  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -4.831   0.264  -0.698  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -5.896  -0.242  -1.455  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -7.101  -0.579  -0.840  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -7.250  -0.418   0.535  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.518   0.589  -1.367  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -6.192   0.076   1.300  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.577   1.391  -0.455  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6