REMARK  Name = BDB042591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.476  -1.234  -1.262  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        1.700  -1.196  -0.605  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1        1.921  -0.558   0.701  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1        2.531   0.850   0.517  0.00  0.00    +0.124 C 
ATOM      5  N   LIG    1        3.747   0.811  -0.333  0.00  0.00    -0.327 N 
ATOM      6  C   LIG    1        3.517   0.127  -1.639  0.00  0.00    +0.124 C 
ATOM      7  C   LIG    1        2.923  -1.280  -1.415  0.00  0.00    +0.126 C 
ATOM      8  O   LIG    1        0.391  -1.437  -2.473  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        5.015   0.688   0.234  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        6.156   0.999  -0.531  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1        7.452   0.908  -0.002  0.00  0.00    +0.089 A 
ATOM     12  C   LIG    1        7.623   0.509   1.315  0.00  0.00    +0.141 A 
ATOM     13  F   LIG    1        8.848   0.411   1.850  0.00  0.00    -0.204 F 
ATOM     14  C   LIG    1        6.522   0.213   2.106  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1        5.232   0.310   1.569  0.00  0.00    +0.026 A 
BRANCH  11  16
ATOM     16  C   LIG    1        8.585   1.232  -0.812  0.00  0.00    +0.102 C 
ATOM     17  N   LIG    1        9.484   1.497  -1.496  0.00  0.00    -0.191 NA
ENDBRANCH  11  16
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.763  -1.021  -0.411  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.046  -1.261  -1.209  0.00  0.00    +0.062 C 
BRANCH  19  27
ATOM     20  C   LIG    1       -5.898   2.420  -0.857  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -6.132   1.340   0.164  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1       -5.271   0.230   0.302  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1       -5.559  -0.743   1.281  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -4.659  -1.914   1.430  0.00  0.00    +0.257 A 
ATOM     25  N   LIG    1       -3.577  -1.967   0.582  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -2.993  -2.788   0.689  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1       -3.278  -1.023  -0.371  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1       -4.864  -2.787   2.265  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.675  -0.630   2.113  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1       -7.509   0.464   1.966  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1       -8.583   0.588   2.756  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -4.076   0.044  -0.538  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1       -7.252   1.441   1.008  0.00  0.00    +0.042 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5