REMARK  Name = BDB056167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.112  -1.228  -0.807  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  12
ATOM      2  C   LIG    1        7.269  -0.045   1.574  0.00  0.00    +0.062 C 
ATOM      3  C   LIG    1        5.926   0.253   0.917  0.00  0.00    +0.256 C 
ATOM      4  C   LIG    1        5.972  -0.104  -0.580  0.00  0.00    +0.258 C 
ATOM      5  O   LIG    1        6.986  -0.063  -1.273  0.00  0.00    -0.271 OA
ATOM      6  N   LIG    1        4.750  -0.384  -1.132  0.00  0.00    -0.280 N 
ATOM      7  H   LIG    1        4.714  -0.529  -2.132  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1        3.615  -0.549  -0.339  0.00  0.00    +0.076 A 
ATOM      9  C   LIG    1        3.725  -0.529   1.053  0.00  0.00    +0.143 A 
ATOM     10  C   LIG    1        2.599  -0.747   1.843  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        1.357  -0.964   1.243  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        1.233  -0.977  -0.155  0.00  0.00    -0.031 A 
ATOM     13  C   LIG    1        2.379  -0.778  -0.943  0.00  0.00    +0.032 A 
ATOM     14  O   LIG    1        4.916  -0.367   1.709  0.00  0.00    -0.478 OA
ENDBRANCH   1  12
BRANCH   1  15
ATOM     15  N   LIG    1       -0.517  -0.157  -1.733  0.00  0.00    -0.294 NA
ATOM     16  C   LIG    1       -0.765   1.131  -1.058  0.00  0.00    +0.089 C 
ATOM     17  C   LIG    1       -1.971   1.130  -0.098  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -3.151   0.370  -0.656  0.00  0.00    -0.042 C 
ATOM     19  C   LIG    1       -3.018  -0.375  -1.770  0.00  0.00    -0.008 C 
ATOM     20  C   LIG    1       -1.713  -0.545  -2.498  0.00  0.00    +0.112 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -4.452   0.484   0.028  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1       -5.155  -0.669   0.410  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -6.384  -0.571   1.069  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -6.919   0.684   1.350  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -8.432   0.807   2.159  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -6.236   1.839   0.978  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.006   1.738   0.320  0.00  0.00    +0.009 A 
ENDBRANCH  18  21
ENDBRANCH   1  15
TORSDOF 3