REMARK  Name = BDB015888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.145   1.233   1.238  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.382   0.437   0.289  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.710   0.507   0.063  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.540   1.353   0.797  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.896   2.127   1.744  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1       -0.569   2.097   1.980  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.794   0.147   0.955  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.409   0.247   0.746  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.600   1.146   1.475  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.240   1.950   2.435  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.616   1.863   2.657  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.388   0.966   1.921  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.538  -2.064  -1.449  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.248  -1.760  -0.881  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.223  -2.608  -1.076  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.210  -2.024  -0.430  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.579  -0.802   0.182  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.915  -0.664  -0.138  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.978   1.425   0.625  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.722   2.588   0.646  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -6.019   2.215   0.439  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -7.174   3.078   0.376  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -6.175   0.890   0.277  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.936   0.407   0.403  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.250  -0.342  -0.935  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -2.859   0.213  -1.535  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.438  -1.259  -1.689  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1       -2.292  -2.176  -2.588  0.00  0.00    +0.059 C 
ATOM     29  C   LIG    1       -2.268  -3.237  -1.468  0.00  0.00    +0.170 C 
ATOM     30  F   LIG    1       -3.365  -3.266  -0.673  0.00  0.00    -0.245 F 
ATOM     31  C   LIG    1       -1.037  -2.513  -0.885  0.00  0.00    +0.059 C 
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 5