REMARK  Name = BDB042598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.506  -1.188  -1.967  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.167  -1.249  -0.482  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.062  -0.717  -0.098  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        1.348  -0.611   1.330  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        2.813  -0.922   1.638  0.00  0.00    +0.056 C 
ATOM      6  C   LIG    1        3.755  -0.225   0.690  0.00  0.00    -0.023 C 
ATOM      7  C   LIG    1        3.287   0.249  -0.483  0.00  0.00    -0.003 C 
ATOM      8  C   LIG    1        1.881   0.109  -0.980  0.00  0.00    +0.135 C 
ATOM      9  O   LIG    1       -0.927  -1.784   0.326  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1        5.178  -0.059   1.073  0.00  0.00    +0.067 A 
ATOM     11  N   LIG    1        5.882   0.873   0.381  0.00  0.00    -0.254 NA
ATOM     12  C   LIG    1        7.184   1.065   0.705  0.00  0.00    +0.130 A 
ATOM     13  C   LIG    1        7.841   0.363   1.700  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        7.117  -0.594   2.404  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        5.772  -0.808   2.089  0.00  0.00    +0.029 A 
BRANCH  13  16
ATOM     16  C   LIG    1        9.217   0.618   1.985  0.00  0.00    +0.101 C 
ATOM     17  N   LIG    1       10.335   0.824   2.217  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.934  -1.648  -2.276  0.00  0.00    +0.062 C 
BRANCH  18  26
ATOM     19  C   LIG    1       -5.458  -0.711   1.619  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -5.548   0.378   0.584  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1       -4.732   0.393  -0.568  0.00  0.00    -0.008 A 
ATOM     22  C   LIG    1       -4.869   1.451  -1.491  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -4.010   1.474  -2.701  0.00  0.00    +0.257 A 
ATOM     24  N   LIG    1       -3.115   0.439  -2.839  0.00  0.00    -0.326 N 
ATOM     25  H   LIG    1       -2.552   0.473  -3.680  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -2.967  -0.596  -1.946  0.00  0.00    +0.020 A 
ATOM     27  O   LIG    1       -4.090   2.369  -3.536  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -5.793   2.477  -1.289  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1       -6.587   2.447  -0.155  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1       -7.479   3.425   0.053  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -3.738  -0.653  -0.848  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1       -6.474   1.418   0.775  0.00  0.00    +0.042 A 
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 5