REMARK  Name = BDB051179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.981  -0.457   0.131  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1        2.238   0.831  -0.151  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.197   1.642  -0.376  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1       -0.077   1.238  -0.333  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -0.343  -0.044  -0.037  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.690  -0.932   0.188  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -1.670  -0.462  -0.009  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -2.088  -1.485   0.965  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -3.435  -1.125   1.637  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -4.550  -0.797   0.725  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -5.371  -1.967   0.426  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -4.061  -0.171  -0.525  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -2.689   0.526  -0.392  0.00  0.00    +0.122 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  N   LIG    1        3.114  -1.245   0.350  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1        3.928  -0.654   0.233  0.00  0.00    +0.155 HD
BRANCH  14  21
ATOM     16  C   LIG    1        5.308  -5.521   1.487  0.00  0.00    +0.065 C 
ATOM     17  C   LIG    1        4.371  -4.417   1.192  0.00  0.00    +0.035 A 
ATOM     18  N   LIG    1        3.016  -4.573   1.226  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1        2.487  -5.412   1.442  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1        2.336  -3.456   0.932  0.00  0.00    -0.158 NA
ATOM     21  C   LIG    1        3.277  -2.539   0.691  0.00  0.00    +0.146 A 
ATOM     22  C   LIG    1        4.571  -3.099   0.847  0.00  0.00    +0.068 A 
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  N   LIG    1        1.543   2.959  -0.675  0.00  0.00    -0.283 N 
ATOM     24  H   LIG    1        2.549   3.038  -0.664  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1        0.815   4.131  -0.899  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        1.511   5.296  -1.256  0.00  0.00    +0.061 A 
ATOM     27  C   LIG    1        0.831   6.485  -1.507  0.00  0.00    +0.125 A 
ATOM     28  F   LIG    1        1.525   7.581  -1.844  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -0.551   6.554  -1.416  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1       -1.262   5.410  -1.070  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -0.581   4.212  -0.817  0.00  0.00    +0.023 A 
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 5