REMARK  Name = BDB007999
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.040  -2.699  -0.973  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        0.554  -1.572  -1.000  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1        0.960  -0.504  -0.224  0.00  0.00    -0.283 N 
ATOM      4  H   LIG    1        0.430   0.364  -0.315  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.979  -0.472   0.757  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1        2.204   0.691   1.519  0.00  0.00    +0.083 A 
ATOM      7  C   LIG    1        3.220   0.708   2.486  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        3.983  -0.427   2.666  0.00  0.00    +0.111 A 
ATOM      9  N   LIG    1        3.802  -1.555   1.958  0.00  0.00    -0.261 NA
ATOM     10  C   LIG    1        2.812  -1.555   1.027  0.00  0.00    +0.134 A 
BRANCH   6  11
ATOM     11  C   LIG    1        1.424   1.952   1.397  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1        1.587   2.951   2.073  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1        0.471   1.929   0.444  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1        0.052   2.815   0.532  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   6  11
ENDBRANCH   3   5
BRANCH   2  15
ATOM     15  C   LIG    1       -0.556  -1.230  -1.985  0.00  0.00    +0.131 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.746  -0.531  -1.367  0.00  0.00    -0.039 A 
ATOM     17  C   LIG    1       -2.477  -1.146  -0.339  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -3.571  -0.497   0.237  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -3.945   0.765  -0.217  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -5.290   1.567   0.495  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -3.236   1.383  -1.245  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -2.141   0.736  -1.821  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 5