REMARK  Name = BDB002226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.196  -0.235   2.107  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.718   0.043   1.035  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        1.035   0.585  -0.034  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1        1.459   0.595  -0.951  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        3.164  -0.237   0.826  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        3.944   0.512  -0.059  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        5.305   0.197  -0.197  0.00  0.00    +0.145 A 
ATOM      8  C   LIG    1        5.902  -0.843   0.517  0.00  0.00    +0.071 A 
ATOM      9 CL   LIG    1        7.553  -1.303   0.333  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        5.116  -1.572   1.412  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        3.758  -1.267   1.571  0.00  0.00    +0.014 A 
BRANCH   7  12
ATOM     12  N   LIG    1        6.080   0.991  -1.121  0.00  0.00    +0.058 N 
ATOM     13  O   LIG    1        5.748   0.934  -2.313  0.00  0.00    -0.126 OA
ATOM     14  O   LIG    1        6.971   1.707  -0.649  0.00  0.00    -0.126 OA
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   3  15
ATOM     15  C   LIG    1       -0.396   0.832   0.036  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.212  -0.443  -0.201  0.00  0.00    +0.049 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.703  -0.191  -0.202  0.00  0.00    -0.072 C 
ATOM     18  C   LIG    1       -3.296   0.398  -1.460  0.00  0.00    +0.030 C 
ATOM     19  C   LIG    1       -4.730   0.907  -1.280  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -5.571  -0.081  -0.480  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1       -4.959  -0.334   0.898  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1       -3.469  -0.508   0.859  0.00  0.00    -0.028 C 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 5