REMARK  Name = BDB002854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.712  -0.791   0.182  0.00  0.00    +0.102 C 
ATOM      2  C   LIG    1       -1.767  -0.282   1.122  0.00  0.00    +0.209 C 
ATOM      3  O   LIG    1       -1.564  -0.304   2.334  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1       -3.031   0.236   0.581  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -3.273   0.213  -0.787  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -4.483   0.710  -1.291  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -5.444   1.228  -0.421  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -5.201   1.250   0.951  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.267  -0.335  -1.712  0.00  0.00    +0.207 C 
ATOM     10  O   LIG    1       -2.498  -0.349  -2.917  0.00  0.00    -0.286 OA
ATOM     11  C   LIG    1       -3.997   0.754   1.454  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -0.994  -0.844  -1.132  0.00  0.00    +0.113 C 
ATOM     13 CL   LIG    1        0.100  -1.564  -2.275  0.00  0.00    -0.077 Cl
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1        0.437  -1.239   0.840  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1        0.269  -1.253   1.856  0.00  0.00    +0.152 HD
BRANCH  14  19
ATOM     16  C   LIG    1        4.442  -0.027   0.226  0.00  0.00    +0.059 A 
ATOM     17  C   LIG    1        4.138  -1.109   1.054  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        2.805  -1.487   1.237  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        1.761  -0.788   0.611  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        2.082   0.313  -0.193  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        3.415   0.697  -0.386  0.00  0.00    +0.017 A 
BRANCH  16  23
ATOM     22  O   LIG    1        6.671   0.360   0.953  0.00  0.00    -0.245 OA
ATOM     23  C   LIG    1        5.861   0.350   0.044  0.00  0.00    +0.337 C 
BRANCH  23  24
ATOM     24  O   LIG    1        6.165   0.637  -1.239  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1        5.463   0.414  -1.880  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH  16  23
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 4