REMARK  Name = BDB001208
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.138   0.046  -0.164  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -1.379  -1.121  -0.168  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.419  -1.331   0.824  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -0.192  -0.359   1.808  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1       -0.936   0.828   1.777  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.895   1.036   0.784  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -3.027   0.265  -1.175  0.00  0.00    -0.475 OA
BRANCH   7   9
ATOM      8  C   LIG    1       -5.068   0.879   0.062  0.00  0.00    +0.067 C 
ATOM      9  C   LIG    1       -4.407  -0.092  -0.924  0.00  0.00    +0.200 C 
ATOM     10  C   LIG    1       -4.582  -1.552  -0.484  0.00  0.00    +0.067 C 
BRANCH   9  11
ATOM     11  C   LIG    1       -5.099   0.072  -2.291  0.00  0.00    +0.348 C 
ATOM     12  O   LIG    1       -4.587   0.387  -3.355  0.00  0.00    -0.247 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -6.428  -0.180  -2.261  0.00  0.00    -0.478 OA
ATOM     14  H   LIG    1       -6.706  -0.035  -3.191  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  15
ATOM     15  C   LIG    1        0.870  -0.576   2.863  0.00  0.00    +0.054 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.101   0.316   2.680  0.00  0.00    +0.109 C 
BRANCH  16  17
ATOM     17  N   LIG    1        2.764   0.095   1.405  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1        2.169   0.108   0.586  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        4.087   0.447   1.232  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        4.808   0.836   2.144  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.617   0.370  -0.159  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        4.056  -0.477  -1.126  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        4.591  -0.517  -2.417  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        5.689   0.280  -2.741  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        6.344   0.226  -4.330  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        6.262   1.114  -1.783  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1        5.729   1.156  -0.492  0.00  0.00    +0.014 A 
ENDBRANCH  19  21
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 8