REMARK  Name = BDB042538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.769   0.001  -0.019  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        2.676   0.982  -0.133  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        1.296   0.299  -0.072  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        1.133  -0.783  -1.049  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.083  -1.328  -1.431  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.162  -2.230  -2.264  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        2.370  -1.337  -1.607  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        3.532  -1.338  -0.596  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1        7.633   1.101   1.324  0.00  0.00    +0.087 A 
ATOM     10  C   LIG    1        6.721   2.064   0.917  0.00  0.00    +0.142 A 
ATOM     11  F   LIG    1        7.050   3.364   0.940  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1        5.445   1.708   0.473  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1        5.034   0.368   0.415  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        5.973  -0.592   0.836  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        7.255  -0.239   1.284  0.00  0.00    +0.023 A 
BRANCH   9  17
ATOM     16  N   LIG    1       10.000   1.750   2.151  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1        8.935   1.477   1.778  0.00  0.00    +0.102 C 
ENDBRANCH   9  17
ENDBRANCH   1  13
BRANCH   5  18
ATOM     18  C   LIG    1       -1.323  -0.750  -0.770  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.584  -1.520  -1.167  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.819  -0.939  -0.524  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1       -3.995  -1.175   0.821  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1       -3.320  -1.731   1.333  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -5.063  -0.729   1.569  0.00  0.00    +0.257 A 
ATOM     24  O   LIG    1       -5.157  -0.969   2.767  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -6.089   0.059   0.846  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -5.916   0.295  -0.528  0.00  0.00    -0.011 A 
ATOM     27  C   LIG    1       -6.880   1.035  -1.221  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1       -7.997   1.531  -0.544  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -8.148   1.286   0.819  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1       -9.223   1.767   1.456  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -7.205   0.553   1.526  0.00  0.00    +0.052 A 
ATOM     32  C   LIG    1       -4.734  -0.236  -1.212  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5