REMARK  Name = BDB042555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.747  -0.249  -0.066  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        2.720   0.124  -1.053  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        1.320   0.193  -0.411  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        1.258   1.067   0.767  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.087   1.552   1.328  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.092   2.293   2.311  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        2.541   1.392   1.395  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        3.552   0.233   1.319  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1        7.016  -2.040   0.103  0.00  0.00    +0.056 A 
ATOM     10  C   LIG    1        5.794  -1.456   0.478  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.955  -0.812  -0.451  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        5.401  -0.789  -1.781  0.00  0.00    +0.061 A 
ATOM     13  C   LIG    1        6.616  -1.366  -2.152  0.00  0.00    +0.126 A 
ATOM     14  F   LIG    1        7.003  -1.311  -3.433  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        7.431  -1.992  -1.223  0.00  0.00    +0.057 A 
BRANCH   9  17
ATOM     16  N   LIG    1        8.489  -3.211   1.888  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1        7.831  -2.688   1.088  0.00  0.00    +0.099 C 
ENDBRANCH   9  17
ENDBRANCH   1  11
BRANCH   5  18
ATOM     18  C   LIG    1       -1.212   1.129   0.663  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.432   1.617   1.448  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.722   1.158   0.815  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1       -4.106   1.786  -0.349  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1       -3.539   2.532  -0.736  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -5.251   1.502  -1.060  0.00  0.00    +0.257 A 
ATOM     24  O   LIG    1       -5.532   2.093  -2.096  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -6.123   0.439  -0.505  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -5.738  -0.197   0.686  0.00  0.00    -0.011 A 
ATOM     27  C   LIG    1       -6.554  -1.200   1.221  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1       -7.737  -1.558   0.567  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -8.098  -0.914  -0.614  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1       -9.233  -1.266  -1.231  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -7.304   0.084  -1.161  0.00  0.00    +0.052 A 
ATOM     32  C   LIG    1       -4.492   0.197   1.350  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5