REMARK  Name = BDB004052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.250  -1.797  -0.505  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.396  -0.854   0.194  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.677  -1.069   0.541  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.315  -2.246   0.230  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -1.584  -3.163  -0.481  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.315  -2.959  -0.865  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.571  -1.642  -0.917  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        1.846  -2.473  -1.420  0.00  0.00    +0.155 HD
BRANCH   7  17
ATOM      9  O   LIG    1        7.757   1.807  -1.499  0.00  0.00    -0.247 OA
ATOM     10  C   LIG    1        6.626   1.421  -1.265  0.00  0.00    +0.325 A 
ATOM     11  N   LIG    1        6.055   0.207  -1.675  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1        6.541  -0.484  -2.220  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1        4.747   0.148  -1.203  0.00  0.00    +0.069 A 
ATOM     14  C   LIG    1        4.493   1.319  -0.498  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        3.280   1.560   0.092  0.00  0.00    +0.029 A 
ATOM     16  C   LIG    1        2.300   0.565  -0.049  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1        2.536  -0.639  -0.761  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1        3.800  -0.840  -1.352  0.00  0.00    +0.051 A 
ATOM     19  N   LIG    1        5.642   2.101  -0.534  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1        5.778   3.006  -0.116  0.00  0.00    +0.170 HD
ENDBRANCH   7  17
ENDBRANCH   1   7
BRANCH   3  21
ATOM     21  N   LIG    1       -2.276  -0.046   1.274  0.00  0.00    -0.298 N 
ATOM     22  H   LIG    1       -1.582   0.662   1.501  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.598   0.412   1.436  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1       -3.905   1.299   2.491  0.00  0.00    +0.062 A 
ATOM     25 CL   LIG    1       -2.660   1.887   3.543  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1       -5.213   1.738   2.719  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -6.246   1.298   1.897  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.967   0.426   0.848  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.657  -0.014   0.623  0.00  0.00    +0.025 A 
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 4