REMARK  Name = BDB022739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.800   1.066   1.359  0.00  0.00    +0.101 A 
ATOM      2  C   LIG    1       -1.778   1.755   0.109  0.00  0.00    +0.080 A 
ATOM      3  C   LIG    1       -0.568   2.424   0.124  0.00  0.00    +0.122 A 
ATOM      4  N   LIG    1        0.062   2.082   1.283  0.00  0.00    -0.266 N 
ATOM      5  N   LIG    1       -0.674   1.268   2.064  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.738   1.837  -0.984  0.00  0.00    +0.248 C 
ATOM      7  N   LIG    1       -3.658   0.822  -1.052  0.00  0.00    -0.307 N 
ATOM      8  H   LIG    1       -3.641   0.071  -0.367  0.00  0.00    +0.149 HD
ATOM      9  O   LIG    1       -2.701   2.744  -1.810  0.00  0.00    -0.270 OA
BRANCH   7  10
ATOM     10  C   LIG    1       -4.690   0.808  -2.059  0.00  0.00    +0.142 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -5.349  -0.539  -2.143  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -6.668  -0.718  -1.714  0.00  0.00    +0.146 A 
ATOM     13  F   LIG    1       -7.352   0.333  -1.235  0.00  0.00    -0.204 F 
ATOM     14  C   LIG    1       -7.276  -1.973  -1.776  0.00  0.00    +0.076 A 
ATOM     15 CL   LIG    1       -8.899  -2.189  -1.244  0.00  0.00    -0.081 Cl
ATOM     16  C   LIG    1       -6.567  -3.068  -2.271  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -5.251  -2.904  -2.703  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.644  -1.648  -2.638  0.00  0.00    +0.008 A 
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   2   6
BRANCH   1  19
ATOM     19  C   LIG    1       -2.886   0.216   1.942  0.00  0.00    +0.217 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -2.305  -1.959   1.200  0.00  0.00    +0.194 C 
ATOM     21  O   LIG    1       -3.243  -0.890   1.095  0.00  0.00    -0.377 OA
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   4  22
ATOM     22  C   LIG    1        1.366   2.549   1.732  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.484   1.749   1.111  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1        2.777   0.460   1.580  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        3.806  -0.287   1.005  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        4.565   0.237  -0.051  0.00  0.00    -0.026 A 
ATOM     27  C   LIG    1        4.268   1.522  -0.524  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        3.238   2.271   0.051  0.00  0.00    +0.006 A 
BRANCH  26  29
ATOM     29  C   LIG    1        5.675  -0.576  -0.670  0.00  0.00    +0.178 C 
BRANCH  29  30
ATOM     30  N   LIG    1        6.790  -0.759   0.249  0.00  0.00    -0.267 N 
ATOM     31  N   LIG    1        7.006  -1.962   0.824  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        8.101  -1.768   1.562  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1        8.599  -0.456   1.451  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1        7.734   0.172   0.587  0.00  0.00    +0.108 A 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9