REMARK  Name = BDB009269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.366   0.786   1.653  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.140   0.180   1.959  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.020   0.955   2.124  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.924   2.350   2.019  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.299   2.958   1.734  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.441   2.179   1.550  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        3.704   0.514   1.653  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.612  -0.004   1.448  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.453  -1.296   0.986  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        1.536  -1.618   0.710  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.593  -2.126   0.634  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.905  -2.099  -0.869  0.00  0.00    +0.055 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.411  -0.762  -1.373  0.00  0.00    -0.026 A 
ATOM     14  C   LIG    1        5.745  -0.336  -1.205  0.00  0.00    +0.062 A 
ATOM     15 CL   LIG    1        6.904  -1.389  -0.454  0.00  0.00    -0.082 Cl
ATOM     16  C   LIG    1        6.136   0.933  -1.665  0.00  0.00    +0.060 A 
ATOM     17 CL   LIG    1        7.755   1.526  -1.506  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1        5.210   1.774  -2.289  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        3.893   1.358  -2.461  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.497   0.101  -2.007  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -2.342   0.297   2.452  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.768  -0.737   1.410  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -3.583  -0.308   0.231  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -3.971   1.131   0.040  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -4.527   1.434  -1.355  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.492   0.348  -1.813  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -4.801  -1.017  -1.846  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -3.945  -1.270  -0.636  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -3.508  -2.672  -0.418  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -3.801  -3.571  -1.199  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -2.753  -2.896   0.700  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -2.460  -3.852   0.876  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -2.381  -1.962   1.615  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6