REMARK  Name = BDB042532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.176   0.386   0.277  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        2.102   1.398   0.332  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        1.173   1.189   1.542  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.615  -0.165   1.604  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.663  -0.344   2.111  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.308   0.589   2.590  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.470  -1.238   1.087  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        2.963  -0.860   1.030  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        6.884   1.283  -1.561  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        6.806   0.300  -0.577  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        5.576   0.006   0.029  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        4.393   0.679  -0.318  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        4.505   1.663  -1.316  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        5.728   1.966  -1.931  0.00  0.00    +0.020 A 
BRANCH   9  16
ATOM     15  N   LIG    1        9.155   1.833  -2.688  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        8.138   1.587  -2.184  0.00  0.00    +0.099 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -1.215  -1.763   2.083  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.718  -1.823   2.367  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.550  -1.373   1.190  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1       -3.701  -2.263   0.151  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -3.272  -3.179   0.196  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -4.428  -2.024  -0.996  0.00  0.00    +0.257 A 
ATOM     23  O   LIG    1       -4.519  -2.860  -1.887  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.089  -0.700  -1.092  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -4.942   0.207  -0.030  0.00  0.00    -0.011 A 
ATOM     26  C   LIG    1       -5.559   1.460  -0.109  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -6.313   1.794  -1.237  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -6.446   0.879  -2.279  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1       -7.170   1.212  -3.355  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -5.841  -0.369  -2.221  0.00  0.00    +0.052 A 
ATOM     31  C   LIG    1       -4.146  -0.170   1.140  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5