REMARK  Name = BDB013306
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.159   0.756   0.392  0.00  0.00    -0.294 N 
ATOM      2  C   LIG    1        0.065  -0.233   0.238  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.198   0.301  -0.495  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.523   1.714  -0.005  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1       -0.336   2.624  -0.301  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.945   2.133   0.360  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1        1.792   2.941   0.745  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1        0.556  -1.508  -0.454  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1        1.169  -1.458  -1.718  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        1.592  -2.629  -2.350  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        1.400  -3.860  -1.726  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        1.920  -5.303  -2.505  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        0.790  -3.929  -0.476  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.369  -2.758   0.158  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -2.402  -0.624  -0.345  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -2.867  -1.341  -1.460  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -3.952  -2.211  -1.341  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -4.503  -3.082  -2.719  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -4.590  -2.380  -0.116  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.138  -1.677   1.000  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.051  -0.807   0.887  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        2.370   0.314   1.102  0.00  0.00    +0.108 C 
BRANCH  22  24
ATOM     23  C   LIG    1        4.861  -0.044   0.995  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        3.629   0.428   0.240  0.00  0.00    +0.016 C 
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   5  25
ATOM     25  C   LIG    1       -0.621   4.091   0.055  0.00  0.00    +0.133 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -0.711   4.356   1.537  0.00  0.00    +0.305 C 
ATOM     27  O   LIG    1       -0.901   3.543   2.426  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -0.612   5.670   1.819  0.00  0.00    -0.481 OA
ATOM     29  H   LIG    1       -0.652   5.708   2.797  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7