REMARK  Name = BDB042496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.108  -2.643   0.580  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.465  -0.264   0.722  0.00  0.00    -0.042 C 
ATOM      3  C   LIG    1        2.456  -0.001  -0.370  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        1.479  -1.175  -0.566  0.00  0.00    +0.089 C 
ATOM      5  N   LIG    1        0.939  -1.622   0.727  0.00  0.00    -0.298 NA
ATOM      6  C   LIG    1        2.029  -2.136   1.576  0.00  0.00    +0.112 C 
ATOM      7  C   LIG    1        3.247  -1.255   1.606  0.00  0.00    -0.008 C 
BRANCH   2  11
ATOM      8  C   LIG    1        6.965   2.226   0.887  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        5.707   2.792   0.667  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        4.569   1.979   0.617  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        4.667   0.592   0.791  0.00  0.00    -0.022 A 
ATOM     12  C   LIG    1        5.937   0.035   1.007  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        7.078   0.844   1.056  0.00  0.00    +0.019 A 
BRANCH   8  15
ATOM     14  N   LIG    1        9.076   3.730   0.977  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        8.131   3.057   0.938  0.00  0.00    +0.099 C 
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -1.427  -2.112  -0.000  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.021  -0.970   0.831  0.00  0.00    +0.054 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.341  -0.496   0.273  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1       -4.432  -1.314   0.464  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -4.327  -2.192   0.960  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -5.712  -1.041   0.033  0.00  0.00    +0.257 A 
ATOM     22  O   LIG    1       -6.641  -1.814   0.232  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -5.903   0.242  -0.685  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -4.793   1.082  -0.875  0.00  0.00    -0.011 A 
ATOM     25  C   LIG    1       -4.962   2.296  -1.551  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -6.225   2.658  -2.027  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1       -7.311   1.809  -1.827  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1       -8.516   2.168  -2.289  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -7.166   0.601  -1.160  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1       -3.481   0.677  -0.366  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6