REMARK  Name = BDB006192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.454   0.402  -0.432  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -1.159   1.495   0.280  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -0.332   2.140   1.242  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -0.532   3.155   1.887  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.890   1.358   1.240  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        2.026   1.369   1.934  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        2.719   0.330   1.383  0.00  0.00    -0.265 N 
ATOM      8  C   LIG    1        2.029  -0.309   0.372  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.832   0.344   0.288  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -1.603  -0.981   2.157  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -1.621  -1.604   0.785  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -1.096  -0.977  -0.373  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -1.168  -1.681  -1.599  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -1.737  -2.952  -1.688  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.251  -3.550  -0.548  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -2.955  -5.116  -0.647  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.196  -2.888   0.675  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -2.471   1.924  -0.074  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -3.319   2.568   0.844  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -2.960   2.687   2.131  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -4.598   2.990   0.472  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -5.636   3.762   1.612  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -5.064   2.768  -0.821  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.253   2.105  -1.737  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -2.972   1.681  -1.365  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   8  26
ATOM     26  C   LIG    1        2.471  -1.537  -0.457  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1        3.718  -1.451  -1.295  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1        2.375  -1.484  -1.960  0.00  0.00    +0.010 C 
ENDBRANCH   8  26
BRANCH   7  29
ATOM     29  C   LIG    1        4.004  -0.031   1.956  0.00  0.00    +0.171 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.066   1.037   1.723  0.00  0.00    +0.179 C 
BRANCH  30  31
ATOM     31  O   LIG    1        5.625   0.918   0.416  0.00  0.00    -0.393 OA
ATOM     32  H   LIG    1        6.204   1.690   0.289  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 6