REMARK  Name = BDB008939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.414   2.361   0.254  0.00  0.00    +0.092 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.097   1.409   1.231  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -2.018   0.347   0.714  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -2.321   0.230  -0.753  0.00  0.00    +0.037 C 
ATOM      5  C   LIG    1       -3.524  -0.670  -1.053  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -3.477  -1.944  -0.220  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -3.470  -1.622   1.275  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -2.555  -0.481   1.627  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -2.252  -0.299   3.069  0.00  0.00    +0.268 A 
ATOM     10  O   LIG    1       -2.743  -1.024   3.929  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1       -1.402   0.728   3.377  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -1.174   0.863   4.356  0.00  0.00    +0.192 HD
ATOM     13  N   LIG    1       -0.819   1.576   2.490  0.00  0.00    -0.175 NA
ENDBRANCH   1   2
BRANCH   1  18
ATOM     14  C   LIG    1        2.705   0.425  -0.719  0.00  0.00    +0.126 A 
ATOM     15  N   LIG    1        2.785   0.591  -2.070  0.00  0.00    -0.250 NA
ATOM     16  C   LIG    1        1.820   1.343  -2.637  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        0.776   1.924  -1.931  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        0.696   1.724  -0.548  0.00  0.00    -0.038 A 
ATOM     19  C   LIG    1        1.698   0.968   0.071  0.00  0.00    +0.037 A 
BRANCH  14  23
ATOM     20  C   LIG    1        5.793  -1.751  -0.588  0.00  0.00    +0.128 C 
ATOM     21  N   LIG    1        4.749  -0.842  -0.973  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        4.575  -0.639  -1.955  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        3.786  -0.403  -0.089  0.00  0.00    +0.262 C 
ATOM     24  O   LIG    1        3.782  -0.663   1.108  0.00  0.00    -0.269 OA
ENDBRANCH  14  23
ENDBRANCH   1  18
TORSDOF 3