REMARK  Name = BDB031391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.060  -0.922   1.263  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        0.994   0.047   0.924  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.220  -0.363  -0.349  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.308  -1.744  -0.355  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.817  -2.667  -0.076  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.645  -2.338   1.192  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.907   0.243   0.146  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.288   0.934   1.138  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        4.042   0.516   1.501  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        3.442   1.278   2.650  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        3.352  -0.553   0.879  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        4.053  -1.228  -0.130  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.340  -0.839  -0.503  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.000   2.416   0.223  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.677   1.877   0.382  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.035   2.252   1.077  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.282   0.706  -0.233  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.979   0.071  -1.019  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.411  -1.965   0.593  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.659  -1.177   0.272  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.446  -1.505  -0.838  0.00  0.00    +0.152 A 
ATOM     22  F   LIG    1       -3.106  -2.541  -1.622  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.599  -0.778  -1.135  0.00  0.00    +0.089 A 
ATOM     24  C   LIG    1       -4.991   0.290  -0.310  0.00  0.00    +0.043 A 
ATOM     25  C   LIG    1       -6.210   0.991  -0.677  0.00  0.00    +0.138 A 
ATOM     26  O   LIG    1       -6.708   2.037   0.080  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -7.819   2.514  -0.723  0.00  0.00    +0.234 C 
ATOM     28  C   LIG    1       -8.110   1.507  -1.844  0.00  0.00    +0.085 C 
ATOM     29  C   LIG    1       -6.921   0.653  -1.745  0.00  0.00    +0.062 A 
ATOM     30  C   LIG    1       -6.527  -0.449  -2.626  0.00  0.00    +0.256 A 
ATOM     31  O   LIG    1       -7.186  -0.744  -3.616  0.00  0.00    -0.267 OA
ATOM     32  C   LIG    1       -4.215   0.625   0.801  0.00  0.00    +0.014 A 
ATOM     33  N   LIG    1       -5.380  -1.114  -2.264  0.00  0.00    -0.319 N 
ATOM     34  H   LIG    1       -5.082  -1.880  -2.857  0.00  0.00    +0.169 HD
ATOM     35  C   LIG    1       -3.055  -0.103   1.088  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4