REMARK  Name = BDB017094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.761  -0.003  -0.215  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        0.526   0.508  -0.034  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        1.466  -0.261   0.641  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        1.187  -1.494   1.138  0.00  0.00    -0.253 NA
ATOM      5  C   LIG    1       -0.061  -1.967   0.952  0.00  0.00    +0.112 A 
ATOM      6  C   LIG    1       -1.057  -1.271   0.291  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -3.535   1.425  -1.787  0.00  0.00    -0.124 N 
ATOM      8  N   LIG    1       -3.027   0.342  -1.157  0.00  0.00    -0.127 NA
ATOM      9  C   LIG    1       -1.774   0.770  -0.918  0.00  0.00    +0.205 A 
ATOM     10  N   LIG    1       -1.541   2.027  -1.427  0.00  0.00    -0.108 NA
ATOM     11  N   LIG    1       -2.668   2.430  -1.997  0.00  0.00    -0.043 NA
BRANCH   7  12
ATOM     12  C   LIG    1       -4.875   1.463  -2.353  0.00  0.00    +0.400 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -5.732   0.492  -1.732  0.00  0.00    -0.440 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -6.175   0.855  -0.497  0.00  0.00    +0.314 C 
ATOM     15  O   LIG    1       -5.968   1.951   0.004  0.00  0.00    -0.250 OA
BRANCH  14  17
ATOM     16  C   LIG    1       -8.147  -0.674  -0.713  0.00  0.00    +0.022 C 
ATOM     17  C   LIG    1       -6.953  -0.283   0.167  0.00  0.00    +0.059 C 
ATOM     18  C   LIG    1       -6.019  -1.484   0.367  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -7.471   0.183   1.536  0.00  0.00    +0.022 C 
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1        2.817   0.245   0.845  0.00  0.00    +0.107 A 
ATOM     21  N   LIG    1        3.254   1.486   0.426  0.00  0.00    -0.234 NA
ATOM     22  C   LIG    1        4.512   1.558   0.798  0.00  0.00    +0.200 A 
ATOM     23  N   LIG    1        4.914   0.415   1.432  0.00  0.00    -0.332 N 
ATOM     24  C   LIG    1        3.840  -0.427   1.482  0.00  0.00    +0.117 A 
BRANCH  23  25
ATOM     25  C   LIG    1        6.221   0.183   2.023  0.00  0.00    +0.159 C 
BRANCH  25  26
ATOM     26  C   LIG    1        7.278  -0.068   0.976  0.00  0.00    -0.009 A 
ATOM     27  C   LIG    1        7.512  -1.337   0.420  0.00  0.00    +0.046 A 
ATOM     28 CL   LIG    1        6.634  -2.735   0.926  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1        8.490  -1.513  -0.564  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        9.246  -0.430  -1.008  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        9.028   0.833  -0.467  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.053   1.014   0.515  0.00  0.00    +0.007 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   3  20
TORSDOF 8