REMARK  Name = BDB012026
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.586   0.869  -0.187  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1        4.031   1.719  -1.162  0.00  0.00    -0.323 N 
ATOM      3  H   LIG    1        4.935   2.161  -1.207  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1        3.031   1.873  -2.075  0.00  0.00    +0.160 A 
ATOM      5  C   LIG    1        1.983   1.086  -1.613  0.00  0.00    +0.131 A 
ATOM      6  C   LIG    1        0.772   1.043  -2.356  0.00  0.00    +0.079 A 
ATOM      7  C   LIG    1        0.800   1.823  -3.543  0.00  0.00    +0.082 A 
ATOM      8  C   LIG    1        1.934   2.567  -3.885  0.00  0.00    +0.135 A 
ATOM      9 CL   LIG    1       -0.531   1.849  -4.655  0.00  0.00    -0.080 Cl
ATOM     10  N   LIG    1        3.088   2.636  -3.177  0.00  0.00    -0.234 NA
ATOM     11  N   LIG    1        2.353   0.471  -0.431  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        2.733  -1.137   2.275  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1        4.029  -0.438   2.092  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        4.415   0.429   1.043  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1        5.702   0.812   1.339  0.00  0.00    +0.119 A 
ATOM     16  N   LIG    1        6.011   0.178   2.508  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1        7.255   0.255   3.236  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1        5.016  -0.588   2.987  0.00  0.00    -0.176 NA
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  N   LIG    1       -0.383   0.293  -2.008  0.00  0.00    -0.325 N 
ATOM     20  C   LIG    1       -0.144  -0.902  -1.168  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -1.458  -1.711  -1.043  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1       -2.563  -0.914  -0.455  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -2.745   0.324  -1.254  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -1.440   1.143  -1.408  0.00  0.00    +0.120 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -3.796  -1.715  -0.411  0.00  0.00    +0.119 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.900  -1.065   0.397  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -4.697  -0.743   1.749  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -5.714  -0.151   2.499  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -6.943   0.120   1.903  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       -8.198   0.850   2.826  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1       -7.163  -0.196   0.564  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -6.145  -0.788  -0.187  0.00  0.00    +0.006 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   6  19
TORSDOF 4