REMARK  Name = BDB042478
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.691   1.684   0.259  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.754   1.999  -0.156  0.00  0.00    +0.085 C 
BRANCH   2   6
ATOM      3  N   LIG    1       -4.041   0.381   0.348  0.00  0.00    -0.325 N 
ATOM      4  C   LIG    1       -3.849   1.568  -0.505  0.00  0.00    +0.120 C 
ATOM      5  C   LIG    1       -2.686   1.396  -1.512  0.00  0.00    +0.103 C 
ATOM      6  N   LIG    1       -1.402   0.930  -0.932  0.00  0.00    -0.299 NA
ATOM      7  C   LIG    1       -1.678  -0.289  -0.134  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -2.791  -0.152   0.934  0.00  0.00    +0.120 C 
BRANCH   3  10
ATOM      9  C   LIG    1       -5.677  -1.300   1.071  0.00  0.00    +0.147 A 
ATOM     10  C   LIG    1       -5.033  -0.557   0.057  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1       -5.463  -0.811  -1.256  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -6.453  -1.762  -1.541  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -7.053  -2.486  -0.515  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -6.668  -2.252   0.800  0.00  0.00    +0.043 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -5.166  -0.910   3.556  0.00  0.00    +0.135 C 
ATOM     16  N   LIG    1       -5.384  -1.069   2.414  0.00  0.00    -0.348 NA
ENDBRANCH   9  16
ENDBRANCH   3  10
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        1.598   1.370  -0.938  0.00  0.00    +0.054 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.023   1.117  -0.511  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1        3.769   2.209  -0.144  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        3.360   3.136  -0.164  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        5.085   2.171   0.262  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        5.668   3.203   0.571  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        5.724   0.832   0.295  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1        4.973  -0.299  -0.086  0.00  0.00    -0.005 A 
ATOM     25  C   LIG    1        5.579  -1.576  -0.056  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        6.920  -1.690   0.352  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        7.650  -0.563   0.726  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        4.839  -2.827  -0.449  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1        7.052   0.691   0.696  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1        7.793   1.745   1.064  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        3.574  -0.107  -0.502  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6