REMARK  Name = BDB001788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.663   2.261  -1.505  0.00  0.00    +0.173 C 
ENDROOT
BRANCH   1   4
ATOM      2  N   LIG    1        0.410   0.168  -1.569  0.00  0.00    -0.297 N 
ATOM      3  H   LIG    1        0.915   0.016  -0.693  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1        0.503   1.452  -2.070  0.00  0.00    +0.224 C 
ATOM      5  O   LIG    1       -0.283   1.921  -2.885  0.00  0.00    -0.275 OA
BRANCH   2   6
ATOM      6  C   LIG    1       -0.763  -0.715  -1.765  0.00  0.00    +0.121 C 
ATOM      7  C   LIG    1       -0.993  -1.011  -3.260  0.00  0.00    +0.048 C 
BRANCH   6   9
ATOM      8  C   LIG    1       -1.641  -3.069  -1.021  0.00  0.00    +0.010 C 
ATOM      9  C   LIG    1       -0.494  -2.045  -0.957  0.00  0.00    +0.020 C 
ATOM     10  C   LIG    1        0.808  -2.755  -1.364  0.00  0.00    +0.010 C 
ENDBRANCH   6   9
BRANCH   6  11
ATOM     11  C   LIG    1       -1.973  -0.055  -1.181  0.00  0.00    +0.088 C 
ATOM     12  N   LIG    1       -2.889   0.426  -0.647  0.00  0.00    -0.194 NA
ENDBRANCH   6  11
ENDBRANCH   2   6
ENDBRANCH   1   4
BRANCH   1  13
ATOM     13  S   LIG    1        1.133   3.155  -0.002  0.00  0.00    -0.077 S 
BRANCH  13  14
ATOM     14  C   LIG    1        1.086   1.865   1.150  0.00  0.00    +0.192 A 
ATOM     15  N   LIG    1        0.554   1.966   2.407  0.00  0.00    -0.302 N 
ATOM     16  C   LIG    1       -0.060   3.125   3.005  0.00  0.00    +0.153 C 
ATOM     17  C   LIG    1        0.677   0.708   2.960  0.00  0.00    +0.238 A 
ATOM     18  N   LIG    1        1.208  -0.099   2.053  0.00  0.00    -0.124 NA
ATOM     19  N   LIG    1        1.496   0.634   0.935  0.00  0.00    -0.122 NA
BRANCH  17  20
ATOM     20  C   LIG    1        0.271   0.363   4.346  0.00  0.00    +0.452 C 
ATOM     21  F   LIG    1       -1.048   0.606   4.567  0.00  0.00    -0.163 F 
ATOM     22  F   LIG    1        0.955   1.103   5.258  0.00  0.00    -0.163 F 
ATOM     23  F   LIG    1        0.492  -0.942   4.650  0.00  0.00    -0.163 F 
ENDBRANCH  17  20
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 7