REMARK  Name = BDB042535
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.607  -0.122   0.632  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        2.671   0.056   1.768  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        1.617  -1.064   1.782  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.933  -1.219   0.491  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.353  -1.748   0.506  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.960  -1.953   1.559  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.829  -1.283  -0.671  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        2.899  -0.172  -0.670  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        7.079   2.211   0.575  0.00  0.00    +0.140 A 
ATOM     10  N   LIG    1        6.085   2.581   1.412  0.00  0.00    -0.243 NA
ATOM     11  C   LIG    1        4.968   1.807   1.414  0.00  0.00    +0.135 A 
ATOM     12  C   LIG    1        4.760   0.677   0.615  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        5.830   0.338  -0.226  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        6.997   1.103  -0.255  0.00  0.00    +0.041 A 
BRANCH   9  16
ATOM     15  N   LIG    1        9.228   3.673   0.558  0.00  0.00    -0.189 NA
ATOM     16  C   LIG    1        8.257   3.034   0.585  0.00  0.00    +0.119 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -0.993  -2.046  -0.841  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.446  -2.524  -0.730  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.425  -1.403  -0.464  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1       -3.401  -0.838   0.791  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -2.726  -1.180   1.479  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -4.217   0.187   1.218  0.00  0.00    +0.257 A 
ATOM     23  O   LIG    1       -4.139   0.666   2.343  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.202   0.691   0.230  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -5.237   0.111  -1.048  0.00  0.00    -0.011 A 
ATOM     26  C   LIG    1       -6.164   0.579  -1.987  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -7.038   1.614  -1.645  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -6.986   2.175  -0.372  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1       -7.829   3.167  -0.058  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -6.075   1.726   0.574  0.00  0.00    +0.052 A 
ATOM     31  C   LIG    1       -4.308  -0.972  -1.380  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5