REMARK  Name = BDB042440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.149  -1.693   0.721  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.937   0.249   0.095  0.00  0.00    -0.024 C 
ATOM      3  C   LIG    1        3.710  -0.569   1.345  0.00  0.00    +0.052 C 
ATOM      4  C   LIG    1        2.508  -1.519   1.218  0.00  0.00    +0.089 C 
ATOM      5  N   LIG    1        1.331  -0.819   0.680  0.00  0.00    -0.298 NA
ATOM      6  C   LIG    1        1.612  -0.323  -0.676  0.00  0.00    +0.112 C 
ATOM      7  C   LIG    1        2.955   0.342  -0.823  0.00  0.00    -0.006 C 
BRANCH   2  11
ATOM      8  C   LIG    1        7.703   2.188  -0.090  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        7.068   1.840   1.089  0.00  0.00    +0.130 A 
ATOM     10  N   LIG    1        5.866   1.217   1.144  0.00  0.00    -0.254 NA
ATOM     11  C   LIG    1        5.244   0.927  -0.026  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1        5.824   1.236  -1.256  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        7.065   1.875  -1.287  0.00  0.00    +0.022 A 
BRANCH   8  15
ATOM     14  N   LIG    1       10.004   3.372  -0.055  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        8.973   2.842  -0.069  0.00  0.00    +0.101 C 
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -1.156  -0.945   0.411  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.370  -1.867   0.588  0.00  0.00    +0.054 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.730  -1.262   0.302  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1       -4.788  -2.141   0.387  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -4.622  -3.111   0.631  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -6.114  -1.829   0.168  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1       -6.981  -2.688   0.268  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -6.404  -0.421  -0.186  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1       -5.333   0.481  -0.275  0.00  0.00    -0.008 A 
ATOM     25  C   LIG    1       -5.585   1.819  -0.607  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -6.891   2.251  -0.849  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -7.950   1.349  -0.760  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -7.705   0.017  -0.429  0.00  0.00    +0.136 A 
ATOM     29  F   LIG    1       -8.753  -0.814  -0.355  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -3.964   0.021  -0.019  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6