REMARK  Name = BDB012687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.172   0.337   0.422  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -0.388   1.586   0.005  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -1.764   1.449   0.175  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -2.672   2.476  -0.123  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -2.147   3.676  -0.612  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -0.775   3.835  -0.793  0.00  0.00    +0.042 A 
ATOM      7 CL   LIG    1       -0.166   5.328  -1.398  0.00  0.00    -0.084 Cl
ATOM      8  N   LIG    1       -1.929   0.174   0.650  0.00  0.00    -0.262 N 
ATOM      9  C   LIG    1        0.121   2.804  -0.492  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -0.784  -0.500   0.825  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        1.507   0.107   0.395  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1        2.108   0.864   0.064  0.00  0.00    +0.154 HD
BRANCH  11  14
ATOM     13  C   LIG    1        3.689  -1.016   0.655  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1        2.280  -1.028   0.729  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1        1.721  -2.232   1.165  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1        2.420  -3.347   1.510  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1        3.757  -3.282   1.422  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        4.432  -2.154   1.005  0.00  0.00    +0.036 A 
BRANCH  13  20
ATOM     19  O   LIG    1        5.715   0.196   0.176  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1        4.498   0.154   0.218  0.00  0.00    +0.339 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.776   1.229  -0.157  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        4.473   1.875  -0.411  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   8  23
ATOM     23  C   LIG    1       -3.176  -0.482   0.986  0.00  0.00    +0.153 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.943  -1.007  -0.217  0.00  0.00    +0.136 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.207  -2.104  -0.948  0.00  0.00    +0.392 C 
ATOM     26  F   LIG    1       -2.108  -1.651  -1.577  0.00  0.00    -0.171 F 
ATOM     27  F   LIG    1       -2.858  -3.104  -0.116  0.00  0.00    -0.171 F 
ATOM     28  F   LIG    1       -4.018  -2.633  -1.896  0.00  0.00    -0.171 F 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 7