REMARK  Name = BDB000610
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.042  -2.646   1.566  0.00  0.00    -0.282 OA
ATOM      2  C   LIG    1       -3.185  -1.835   1.301  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1       -3.355  -0.574   0.580  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -2.102   0.030   0.501  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.957   1.252  -0.129  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -3.102   1.849  -0.675  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.362   1.224  -0.584  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -1.121  -0.764   1.120  0.00  0.00    -0.248 N 
ATOM      9  C   LIG    1       -4.500  -0.009   0.053  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.679  -1.909   1.658  0.00  0.00    +0.292 C 
ATOM     11  O   LIG    1       -1.152  -2.800   2.289  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        0.258  -0.404   1.281  0.00  0.00    +0.219 C 
BRANCH  12  13
ATOM     13  N   LIG    1        0.861  -0.390  -0.036  0.00  0.00    -0.328 N 
ATOM     14  H   LIG    1        0.585  -1.211  -0.568  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.228  -0.128  -0.168  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        2.856  -0.471  -1.376  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        4.203  -0.175  -1.609  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        4.936   0.499  -0.639  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        6.591   0.870  -0.918  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        4.327   0.886   0.550  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        2.978   0.587   0.775  0.00  0.00    +0.024 A 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   8  12
TORSDOF 3