REMARK  Name = BDB014048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.315   1.682  -2.280  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.181   0.911  -1.225  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1        0.298   0.034  -0.221  0.00  0.00    +0.121 A 
ATOM      4  N   LIG    1       -0.693  -0.503   0.503  0.00  0.00    -0.167 NA
ATOM      5  N   LIG    1       -1.805   0.097   0.021  0.00  0.00    -0.242 N 
ATOM      6  C   LIG    1       -1.548   0.963  -1.009  0.00  0.00    +0.164 A 
ATOM      7  N   LIG    1       -2.436   1.713  -1.685  0.00  0.00    -0.216 NA
ATOM      8  C   LIG    1       -1.839   2.448  -2.636  0.00  0.00    +0.225 A 
ATOM      9  N   LIG    1       -0.534   2.468  -2.970  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1        1.783  -0.304   0.104  0.00  0.00    +0.069 A 
ATOM     11  N   LIG    1        2.877   0.284  -0.471  0.00  0.00    -0.352 N 
ATOM     12  H   LIG    1        2.841   1.028  -1.161  0.00  0.00    +0.166 HD
ATOM     13  C   LIG    1        4.035  -0.254   0.043  0.00  0.00    +0.066 A 
ATOM     14  C   LIG    1        3.657  -1.196   1.002  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        4.662  -1.897   1.700  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        6.000  -1.624   1.404  0.00  0.00    +0.119 A 
ATOM     17  C   LIG    1        6.360  -0.684   0.446  0.00  0.00    +0.067 A 
ATOM     18  C   LIG    1        5.376   0.018  -0.251  0.00  0.00    +0.068 A 
ATOM     19 CL   LIG    1        5.808   1.180  -1.440  0.00  0.00    -0.081 Cl
ATOM     20  C   LIG    1        2.235  -1.210   1.038  0.00  0.00    +0.038 A 
BRANCH  16  21
ATOM     21  O   LIG    1        7.009  -2.278   2.053  0.00  0.00    -0.507 OA
ATOM     22  H   LIG    1        6.619  -2.893   2.696  0.00  0.00    +0.292 HD
ENDBRANCH  16  21
ENDBRANCH   3  10
BRANCH   5  23
ATOM     23  C   LIG    1       -3.092  -0.225   0.621  0.00  0.00    +0.114 C 
ATOM     24  C   LIG    1       -4.054  -0.896  -0.363  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1       -5.374  -1.194   0.332  0.00  0.00    +0.162 C 
ATOM     26  O   LIG    1       -5.926  -0.005   0.894  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1       -5.087   0.572   1.893  0.00  0.00    +0.162 C 
ATOM     28  C   LIG    1       -3.749   0.982   1.298  0.00  0.00    +0.055 C 
ENDBRANCH   5  23
BRANCH   1  29
ATOM     29  N   LIG    1        1.642   1.659  -2.726  0.00  0.00    -0.342 N 
ATOM     30  H   LIG    1        1.686   2.314  -3.508  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1        1.866   0.723  -3.058  0.00  0.00    +0.144 HD
ENDBRANCH   1  29
TORSDOF 4