REMARK  Name = BDB002235
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.821  -0.676   0.462  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.354  -1.166  -0.756  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.020  -1.576  -0.891  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.875  -1.492   0.186  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1       -0.383  -1.018   1.413  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.946  -0.609   1.545  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.312  -1.960   0.091  0.00  0.00    +0.134 C 
ATOM      8  N   LIG    1       -3.389  -1.069   0.589  0.00  0.00    -0.217 N 
ATOM      9  N   LIG    1       -4.602  -1.539   0.093  0.00  0.00    -0.188 NA
ATOM     10  C   LIG    1       -4.321  -2.316  -0.908  0.00  0.00    +0.036 C 
ATOM     11  C   LIG    1       -5.362  -3.002  -1.726  0.00  0.00    +0.062 C 
ATOM     12  C   LIG    1       -2.868  -2.420  -1.251  0.00  0.00    +0.081 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.343   0.332   0.611  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1       -4.189   1.009   1.509  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -4.209   2.404   1.593  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.384   3.158   0.765  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -2.555   2.515  -0.149  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -2.542   1.116  -0.229  0.00  0.00    +0.025 A 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  O   LIG    1        3.091  -0.247   0.726  0.00  0.00    -0.481 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.003  -0.211  -0.364  0.00  0.00    +0.349 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.359   0.338   0.049  0.00  0.00    +0.345 C 
ATOM     22  O   LIG    1        6.416  -0.029  -0.453  0.00  0.00    -0.247 OA
BRANCH  21  23
ATOM     23  O   LIG    1        5.239   1.323   0.982  0.00  0.00    -0.463 OA
BRANCH  23  25
ATOM     24  C   LIG    1        6.850   3.069   0.523  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        6.463   1.919   1.433  0.00  0.00    +0.229 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 7