REMARK  Name = BDB001082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.284   1.584  -0.784  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        2.190   2.083  -0.063  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.965   2.297  -0.703  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        0.828   2.045  -2.071  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        1.907   1.534  -2.790  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        3.125   1.296  -2.149  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.159   2.852   0.085  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1       -1.387   2.197   0.065  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1       -2.510   2.828   0.762  0.00  0.00    +0.127 C 
ATOM     10  C   LIG    1       -3.868   2.278   0.313  0.00  0.00    +0.127 C 
ATOM     11  N   LIG    1       -3.957   0.816   0.421  0.00  0.00    -0.298 N 
ATOM     12  C   LIG    1       -5.207   0.250   0.641  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.225   0.942   0.676  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -2.686   0.081   0.384  0.00  0.00    +0.127 C 
ATOM     15  C   LIG    1       -1.592   0.820  -0.402  0.00  0.00    +0.127 C 
ATOM     16  O   LIG    1        0.046   3.877   0.731  0.00  0.00    -0.270 OA
BRANCH  12  17
ATOM     17  C   LIG    1       -5.278  -1.274   0.790  0.00  0.00    +0.075 C 
ATOM     18  C   LIG    1       -5.271  -1.942  -0.590  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1       -6.743  -2.145  -0.915  0.00  0.00    +0.001 C 
ATOM     20  C   LIG    1       -7.335  -2.570   0.416  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -6.578  -1.755   1.462  0.00  0.00    +0.013 C 
ENDBRANCH  12  17
ENDBRANCH   3   7
BRANCH   1  22
ATOM     22  C   LIG    1        4.599   1.321  -0.096  0.00  0.00    +0.264 C 
BRANCH  22  23
ATOM     23  O   LIG    1        4.577  -0.040   0.354  0.00  0.00    -0.487 OA
BRANCH  23  25
ATOM     24  C   LIG    1        6.263  -1.690  -0.138  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1        5.839  -0.542   0.553  0.00  0.00    +0.133 A 
ATOM     26  C   LIG    1        6.682   0.062   1.496  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        7.963  -0.442   1.721  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        8.405  -1.558   1.017  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        7.559  -2.180   0.096  0.00  0.00    +0.017 A 
BRANCH  24  33
ATOM     30  N   LIG    1        4.111  -2.119  -1.238  0.00  0.00    -0.325 N 
ATOM     31  H   LIG    1        3.681  -1.416  -0.647  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1        3.540  -2.643  -1.885  0.00  0.00    +0.145 HD
ATOM     33  C   LIG    1        5.434  -2.434  -1.133  0.00  0.00    +0.245 C 
ATOM     34  O   LIG    1        5.911  -3.317  -1.837  0.00  0.00    -0.270 OA
ENDBRANCH  24  33
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 6