REMARK  Name = BDB006922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.716  -0.381  -1.297  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.676  -0.338  -1.327  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.466  -0.018  -2.449  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        2.825  -0.100  -2.124  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        3.805   0.179  -3.071  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        3.405   0.552  -4.355  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        2.043   0.629  -4.674  0.00  0.00    +0.043 A 
ATOM      8 CL   LIG    1        1.578   1.089  -6.268  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        3.025  -0.574  -0.695  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1        3.509  -2.034  -0.728  0.00  0.00    +0.018 C 
ATOM     11  C   LIG    1        1.062   0.342  -3.725  0.00  0.00    +0.043 A 
ATOM     12  C   LIG    1        1.570  -0.498  -0.166  0.00  0.00    +0.125 C 
ATOM     13  O   LIG    1       -1.419  -0.211  -2.294  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -1.319  -0.668   0.098  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.279   0.831  -0.096  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -2.795  -0.559   0.149  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -3.296  -1.111   1.423  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -4.770  -0.734   1.715  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -5.251  -1.408   3.001  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -4.998   0.718   1.805  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -5.096   1.025   2.771  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -3.932   1.494   1.153  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -4.271   0.842  -1.287  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -3.488   2.483  -2.811  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -4.447   2.169  -1.808  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   9  26
ATOM     26  C   LIG    1        3.990   0.357   0.080  0.00  0.00    +0.048 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.123   0.082   1.561  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1        5.024  -0.884   2.030  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        5.141  -1.144   3.397  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.365  -0.435   4.311  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.477   0.539   3.859  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        3.359   0.799   2.493  0.00  0.00    +0.003 A 
ENDBRANCH  26  27
ENDBRANCH   9  26
TORSDOF 6