REMARK  Name = BDB042560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.729   1.123   0.628  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.519   1.950   0.373  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.716   1.254   0.284  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        2.947   1.989  -0.019  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        3.921   1.183  -0.898  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1        4.227  -0.141  -0.319  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1        3.296  -0.662   0.695  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1        1.850  -0.200   0.426  0.00  0.00    +0.126 C 
ATOM      9  O   LIG    1        0.465   3.173   0.256  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1        5.430  -0.769  -0.602  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        6.187  -0.488  -1.748  0.00  0.00    +0.135 A 
ATOM     12  N   LIG    1        7.370  -1.063  -2.089  0.00  0.00    -0.243 NA
ATOM     13  C   LIG    1        7.854  -1.996  -1.241  0.00  0.00    +0.140 A 
ATOM     14  C   LIG    1        7.199  -2.367  -0.077  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1        5.984  -1.747   0.233  0.00  0.00    +0.027 A 
BRANCH  13  16
ATOM     16  C   LIG    1        9.105  -2.600  -1.606  0.00  0.00    +0.119 C 
ATOM     17  N   LIG    1       10.115  -3.115  -1.862  0.00  0.00    -0.189 NA
ENDBRANCH  13  16
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.995   1.981   0.581  0.00  0.00    +0.062 C 
BRANCH  18  26
ATOM     19  C   LIG    1       -6.058   0.257  -2.402  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -6.232  -0.231  -0.988  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1       -5.306   0.073   0.036  0.00  0.00    -0.005 A 
ATOM     22  C   LIG    1       -5.533  -0.414   1.340  0.00  0.00    +0.082 A 
ATOM     23  C   LIG    1       -4.561  -0.090   2.414  0.00  0.00    +0.259 A 
ATOM     24  N   LIG    1       -3.479   0.679   2.046  0.00  0.00    -0.326 N 
ATOM     25  H   LIG    1       -2.846   0.904   2.805  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -3.239   1.152   0.780  0.00  0.00    +0.020 A 
ATOM     27  O   LIG    1       -4.682  -0.473   3.571  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -6.659  -1.188   1.615  0.00  0.00    +0.136 A 
ATOM     29  F   LIG    1       -6.903  -1.668   2.843  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -7.571  -1.488   0.610  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -4.103   0.885  -0.212  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1       -7.360  -1.013  -0.683  0.00  0.00    +0.007 A 
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 5