REMARK  Name = BDB042491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.102  -2.662   0.435  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.447  -0.270   0.810  0.00  0.00    -0.042 C 
ATOM      3  C   LIG    1        2.470   0.042  -0.298  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        1.508  -1.126  -0.584  0.00  0.00    +0.089 C 
ATOM      5  N   LIG    1        0.932  -1.643   0.667  0.00  0.00    -0.298 NA
ATOM      6  C   LIG    1        1.999  -2.193   1.522  0.00  0.00    +0.112 C 
ATOM      7  C   LIG    1        3.209  -1.308   1.634  0.00  0.00    -0.008 C 
BRANCH   2  11
ATOM      8  C   LIG    1        6.920   2.229   1.211  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        5.665   2.798   0.981  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        4.535   1.982   0.854  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        4.639   0.588   0.960  0.00  0.00    -0.022 A 
ATOM     12  C   LIG    1        5.907   0.029   1.185  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        7.039   0.841   1.311  0.00  0.00    +0.019 A 
BRANCH   8  15
ATOM     14  N   LIG    1        9.016   3.740   1.443  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        8.078   3.064   1.340  0.00  0.00    +0.099 C 
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -1.406  -2.110  -0.157  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.036  -1.018   0.716  0.00  0.00    +0.054 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.342  -0.524   0.144  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1       -4.430  -1.359   0.252  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -4.333  -2.263   0.699  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -5.702  -1.075  -0.203  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1       -6.609  -1.886  -0.065  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -5.884   0.245  -0.853  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1       -4.776   1.102  -0.957  0.00  0.00    -0.008 A 
ATOM     25  C   LIG    1       -4.928   2.355  -1.565  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -6.171   2.749  -2.066  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -7.267   1.893  -1.960  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -7.121   0.645  -1.355  0.00  0.00    +0.136 A 
ATOM     29  F   LIG    1       -8.201  -0.143  -1.276  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -3.475   0.682  -0.431  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6