REMARK  Name = BDB018624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.244  -1.509   0.961  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        1.266  -0.630   0.471  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        1.054   0.608   1.093  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.839   0.979   2.182  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1        1.678   2.172   2.773  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        2.806   0.114   2.682  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        3.007  -1.128   2.075  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.054   1.526   0.514  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1       -0.863   2.171   1.340  0.00  0.00    -0.288 N 
ATOM     10  C   LIG    1       -1.807   3.093   0.716  0.00  0.00    +0.133 C 
ATOM     11  C   LIG    1       -3.122   2.385   0.304  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -4.221   3.448   0.205  0.00  0.00    +0.032 C 
ATOM     13  N   LIG    1       -3.456   1.321   1.248  0.00  0.00    -0.304 N 
ATOM     14  C   LIG    1       -2.674   0.976   2.329  0.00  0.00    +0.152 A 
ATOM     15  N   LIG    1       -3.271   0.022   3.006  0.00  0.00    -0.132 NA
ATOM     16  N   LIG    1       -4.401  -0.336   2.311  0.00  0.00    -0.127 NA
ATOM     17  C   LIG    1       -4.468   0.395   1.211  0.00  0.00    +0.190 A 
ATOM     18  C   LIG    1       -1.349   1.600   2.599  0.00  0.00    +0.184 C 
ATOM     19  O   LIG    1        0.067   1.679  -0.707  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -5.421   0.201   0.157  0.00  0.00    +0.145 A 
ATOM     21  S   LIG    1       -6.841  -0.748   0.378  0.00  0.00    -0.073 S 
ATOM     22  C   LIG    1       -7.285  -0.456  -1.250  0.00  0.00    +0.067 A 
ATOM     23  C   LIG    1       -6.331   0.331  -1.855  0.00  0.00    +0.119 A 
ATOM     24  N   LIG    1       -5.271   0.707  -1.053  0.00  0.00    -0.244 NA
ENDBRANCH  17  20
ENDBRANCH   3   8
BRANCH   1  25
ATOM     25  C   LIG    1        2.495  -2.836   0.283  0.00  0.00    +0.092 C 
BRANCH  25  33
ATOM     26  C   LIG    1        5.357  -1.434  -3.655  0.00  0.00    +0.049 C 
ATOM     27  C   LIG    1        5.109  -2.135  -2.359  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        6.255  -2.864  -1.754  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1        7.355  -2.895  -2.295  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1        6.005  -3.496  -0.562  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1        6.777  -3.998  -0.135  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1        4.819  -3.507   0.112  0.00  0.00    -0.176 NA
ATOM     33  C   LIG    1        3.832  -2.866  -0.437  0.00  0.00    +0.066 A 
ATOM     34  C   LIG    1        3.930  -2.140  -1.726  0.00  0.00    +0.034 A 
ENDBRANCH  25  33
ENDBRANCH   1  25
TORSDOF 4