REMARK  Name = BDB006989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.573   0.924  -1.180  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -1.719   0.233  -0.812  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1       -2.814  -0.027  -1.659  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -3.809  -0.709  -0.980  0.00  0.00    +0.092 A 
ATOM      5  N   LIG    1       -4.970  -1.087  -1.543  0.00  0.00    -0.150 NA
ATOM      6  N   LIG    1       -5.166  -0.781  -2.854  0.00  0.00    -0.137 NA
ATOM      7  C   LIG    1       -4.203  -0.113  -3.539  0.00  0.00    +0.153 A 
ATOM      8 CL   LIG    1       -4.577   0.208  -5.181  0.00  0.00    -0.060 Cl
ATOM      9  C   LIG    1       -3.443  -0.959   0.462  0.00  0.00    +0.027 C 
ATOM     10  C   LIG    1       -3.418  -2.457   0.773  0.00  0.00    +0.019 C 
ATOM     11  C   LIG    1       -4.401  -0.225   1.403  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -3.003   0.289  -2.986  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1       -2.019  -0.346   0.514  0.00  0.00    +0.126 C 
ATOM     14  O   LIG    1       -0.422   1.423  -2.298  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1        0.530   1.068  -0.106  0.00  0.00    +0.181 C 
BRANCH  15  17
ATOM     16  C   LIG    1        2.982   0.987   0.303  0.00  0.00    +0.097 C 
ATOM     17  N   LIG    1        1.861   0.698  -0.638  0.00  0.00    -0.286 NA
ATOM     18  C   LIG    1        1.932  -0.729  -1.029  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1        1.985  -1.721   0.165  0.00  0.00    +0.065 C 
ATOM     20  C   LIG    1        2.156  -3.153  -0.344  0.00  0.00    +0.025 C 
ATOM     21  N   LIG    1        3.072  -1.417   1.112  0.00  0.00    -0.311 NA
ATOM     22  H   LIG    1        3.964  -1.581   0.641  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1        3.038   0.004   1.509  0.00  0.00    +0.102 C 
BRANCH  16  24
ATOM     24  C   LIG    1        3.039   2.454   0.787  0.00  0.00    +0.179 C 
BRANCH  24  26
ATOM     25  C   LIG    1        4.407   4.053   1.857  0.00  0.00    +0.194 C 
ATOM     26  O   LIG    1        4.279   2.693   1.462  0.00  0.00    -0.381 OA
ENDBRANCH  24  26
ENDBRANCH  16  24
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4