REMARK  Name = BDB064262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.885  -0.131  -0.824  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1        0.406   0.029  -0.366  0.00  0.00    -0.297 N 
ATOM      3  H   LIG    1        0.524   0.464   0.542  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -1.193  -0.768  -1.820  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      5  O   LIG    1       -5.976  -2.292  -0.042  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -5.143  -1.418   0.130  0.00  0.00    +0.222 C 
ATOM      7  N   LIG    1       -5.319  -0.277   0.902  0.00  0.00    -0.285 N 
ATOM      8  H   LIG    1       -6.181  -0.078   1.387  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1       -4.179   0.509   0.906  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1       -3.992   1.705   1.566  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -2.750   2.327   1.427  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -1.734   1.738   0.650  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -1.945   0.509  -0.001  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1       -3.190  -0.089   0.127  0.00  0.00    -0.005 A 
ATOM     15  C   LIG    1       -3.725  -1.371  -0.448  0.00  0.00    +0.133 C 
ENDBRANCH   1  13
BRANCH   2  16
ATOM     16  C   LIG    1        1.645  -0.536  -1.010  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        1.560  -2.043  -1.408  0.00  0.00    +0.192 C 
ATOM     18  O   LIG    1        2.010  -1.756  -2.756  0.00  0.00    -0.375 OA
ATOM     19  C   LIG    1        1.740  -0.345  -2.557  0.00  0.00    +0.192 C 
BRANCH  16  20
ATOM     20  C   LIG    1        2.941  -0.083  -0.143  0.00  0.00    -0.020 A 
ATOM     21  C   LIG    1        3.424  -0.853   0.937  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        4.523  -0.451   1.706  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.165   0.747   1.418  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        6.511   1.248   2.361  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        4.713   1.544   0.374  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        3.614   1.134  -0.389  0.00  0.00    +0.007 A 
ENDBRANCH  16  20
ENDBRANCH   2  16
TORSDOF 3