REMARK  Name = BDB006901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.823  -0.961  -0.692  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.062  -1.274   0.332  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.460  -1.384   0.193  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        2.040  -1.766   1.395  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.407  -1.917   1.455  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        4.208  -1.700   0.390  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        3.621  -1.321  -0.782  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        1.016  -1.976   2.475  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        1.279  -1.086   3.693  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.950  -3.450   2.891  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.244  -1.153  -0.920  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.282  -1.548   1.740  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.483  -0.839  -1.872  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.308  -0.785  -0.297  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.335   0.618  -0.737  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -2.849   0.484  -0.827  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -2.238   1.666  -0.174  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -2.714   1.908   1.286  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -2.134   3.215   1.825  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -4.178   1.952   1.404  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -4.457   1.987   2.383  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -4.814   0.810   0.732  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -5.162  -0.504  -1.423  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -3.983  -0.651  -3.503  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -5.222  -0.411  -2.849  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  C   LIG    1        4.538  -1.052  -1.954  0.00  0.00    +0.090 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.754   0.420  -2.222  0.00  0.00    -0.040 A 
ATOM     28  C   LIG    1        5.571   1.180  -1.370  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1        5.758   2.541  -1.606  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1        6.761   3.462  -0.554  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        5.136   3.162  -2.687  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        4.318   2.417  -3.536  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        4.127   1.053  -3.305  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6