REMARK  Name = BDB063944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.241  -3.291   1.896  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.097  -2.289   1.225  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        2.131  -1.393   0.644  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.439  -1.610   0.827  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.512  -0.370  -0.041  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.238  -0.601   0.095  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.057  -1.703   0.818  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -0.959  -2.071   1.050  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.547  -0.785   0.316  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.704  -0.671   1.104  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.787   0.085   0.619  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.749   0.714  -0.627  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.889   1.423  -0.971  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.769   1.330  -0.001  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.591   0.579  -1.415  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        8.308   0.406   1.364  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.507  -0.172  -0.939  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -0.692   0.216  -0.457  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -0.262   1.024  -0.902  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.135   0.271  -0.304  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1       -2.544   0.443   1.176  0.00  0.00    +0.029 C 
ATOM     22  C   LIG    1       -4.076   0.543   1.301  0.00  0.00    -0.006 C 
ATOM     23  C   LIG    1       -4.567   1.764   0.509  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -4.179   1.608  -0.965  0.00  0.00    +0.114 C 
ATOM     25  C   LIG    1       -4.832   0.349  -1.542  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -4.343  -0.884  -0.768  0.00  0.00    -0.006 C 
ATOM     27  F   LIG    1       -4.609   2.692  -1.656  0.00  0.00    -0.242 F 
ATOM     28  C   LIG    1       -4.716  -0.730   0.718  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -2.656   1.503  -1.089  0.00  0.00    +0.066 C 
ATOM     30  C   LIG    1       -2.811  -0.986  -0.898  0.00  0.00    +0.029 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3