REMARK  Name = BDB014238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.965   0.379  -0.396  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -1.927  -0.423   0.084  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -2.029  -1.809   0.057  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -0.833  -2.339   0.597  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.017  -1.277   0.942  0.00  0.00    +0.023 A 
ATOM      6  N   LIG    1       -3.114  -2.465  -0.418  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -4.106  -1.672  -0.875  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -0.701  -0.124   0.629  0.00  0.00    -0.356 N 
ATOM      9  H   LIG    1       -0.358   0.823   0.750  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -4.088  -0.287  -0.889  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -3.813   2.578  -0.820  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1       -2.929   1.853  -0.405  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -1.790   2.361   0.104  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -1.921   3.330   0.016  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1        1.348  -1.260   1.554  0.00  0.00    +0.088 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.294  -0.284   0.887  0.00  0.00    -0.042 A 
ATOM     17  C   LIG    1        2.712   0.876   1.557  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        3.574   1.780   0.933  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        4.020   1.531  -0.363  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        5.079   2.649  -1.131  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        3.614   0.385  -1.041  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        2.753  -0.521  -0.418  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 4