REMARK  Name = BDB042583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.511  -1.673   0.638  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        1.253  -1.128   1.664  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1        2.557  -1.671   2.020  0.00  0.00    +0.094 C 
ATOM      4  C   LIG    1        3.610  -1.119   1.019  0.00  0.00    +0.127 C 
ATOM      5  N   LIG    1        3.624   0.376   1.010  0.00  0.00    -0.326 N 
ATOM      6  C   LIG    1        2.279   1.024   1.063  0.00  0.00    +0.127 C 
ATOM      7  C   LIG    1        2.774  -1.093   3.425  0.00  0.00    +0.026 C 
ATOM      8  C   LIG    1        1.937   0.200   3.444  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1        1.319   0.278   2.041  0.00  0.00    +0.094 C 
ATOM     10  O   LIG    1        0.828  -2.732   0.099  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        4.594   1.028   0.235  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        4.787   2.417   0.349  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        5.758   3.099  -0.398  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        6.579   2.401  -1.280  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1        6.425   1.022  -1.401  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        5.451   0.350  -0.647  0.00  0.00    +0.024 A 
BRANCH  14  17
ATOM     17  C   LIG    1        7.575   3.090  -2.045  0.00  0.00    +0.099 C 
ATOM     18  N   LIG    1        8.383   3.649  -2.664  0.00  0.00    -0.191 NA
ENDBRANCH  14  17
ENDBRANCH   5  11
BRANCH   1  19
ATOM     19  C   LIG    1       -0.731  -0.901   0.238  0.00  0.00    +0.102 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.547  -1.653  -0.815  0.00  0.00    +0.062 C 
BRANCH  20  28
ATOM     21  C   LIG    1       -6.777  -2.155   0.059  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -6.525  -0.932  -0.784  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -5.225  -0.543  -1.180  0.00  0.00    -0.005 A 
ATOM     24  C   LIG    1       -5.062   0.613  -1.972  0.00  0.00    +0.082 A 
ATOM     25  C   LIG    1       -3.697   1.017  -2.390  0.00  0.00    +0.259 A 
ATOM     26  N   LIG    1       -2.663   0.214  -1.960  0.00  0.00    -0.326 N 
ATOM     27  H   LIG    1       -1.746   0.501  -2.282  0.00  0.00    +0.169 HD
ATOM     28  C   LIG    1       -2.805  -0.907  -1.181  0.00  0.00    +0.020 A 
ATOM     29  O   LIG    1       -3.466   2.005  -3.076  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1       -6.171   1.363  -2.358  0.00  0.00    +0.136 A 
ATOM     31  F   LIG    1       -6.050   2.467  -3.108  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -7.450   0.983  -1.969  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -4.027  -1.305  -0.792  0.00  0.00    +0.030 A 
ATOM     34  C   LIG    1       -7.627  -0.158  -1.187  0.00  0.00    +0.007 A 
ENDBRANCH  20  28
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 5