REMARK  Name = BDB006925
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.291   0.187  -0.915  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.483  -0.966  -1.019  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.849  -1.067  -0.687  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        2.297  -2.369  -0.879  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.615  -2.667  -0.608  0.00  0.00    +0.120 A 
ATOM      6  N   LIG    1        4.488  -1.743  -0.157  0.00  0.00    -0.221 NA
ATOM      7  C   LIG    1        4.014  -0.484   0.029  0.00  0.00    +0.222 A 
ATOM      8  C   LIG    1        1.202  -3.278  -1.365  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        0.877  -4.354  -0.322  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.552  -3.924  -2.709  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.710  -0.088  -0.234  0.00  0.00    +0.091 A 
ATOM     12  C   LIG    1        0.026  -2.278  -1.516  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1        0.143   1.255  -0.480  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -1.768   0.013  -1.351  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -2.754   1.834  -0.006  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -2.522   1.284  -1.375  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -3.793   1.162  -2.114  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -4.952   0.414  -1.385  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -5.064  -1.043  -1.840  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -4.859   0.450   0.090  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -4.262  -0.310   0.408  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -4.224   1.716   0.503  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -2.306   3.314   0.045  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -1.133   3.581   2.087  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -2.343   3.834   1.379  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  O   LIG    1        4.943   0.446   0.452  0.00  0.00    -0.437 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.750   0.911   1.736  0.00  0.00    +0.149 A 
ATOM     28  C   LIG    1        4.635   2.287   1.957  0.00  0.00    +0.083 A 
ATOM     29 CL   LIG    1        4.675   3.415   0.653  0.00  0.00    -0.080 Cl
ATOM     30  C   LIG    1        4.470   2.772   3.257  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1        4.436   1.885   4.335  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        4.574   0.514   4.117  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        4.738   0.026   2.820  0.00  0.00    +0.048 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6