REMARK  Name = BDB059779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.594   0.044   0.622  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1       -2.741   0.589   1.507  0.00  0.00    +0.124 A 
ATOM      3  N   LIG    1       -1.380   0.678   1.242  0.00  0.00    -0.221 N 
ATOM      4  C   LIG    1       -0.848   0.205   0.038  0.00  0.00    +0.163 A 
ATOM      5  C   LIG    1        0.511   0.443   0.105  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        0.706   1.055   1.358  0.00  0.00    +0.145 A 
ATOM      7  N   LIG    1       -1.648  -0.359  -0.920  0.00  0.00    -0.235 NA
ATOM      8  N   LIG    1       -0.424   1.197   2.050  0.00  0.00    -0.173 NA
ATOM      9  C   LIG    1       -2.917  -0.425  -0.637  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -8.343  -1.318   0.221  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1       -7.106  -0.699   0.632  0.00  0.00    -0.274 N 
ATOM     12  N   LIG    1       -7.110   0.170   1.657  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1       -5.831   0.536   1.765  0.00  0.00    +0.143 A 
ATOM     14  C   LIG    1       -5.002  -0.094   0.809  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -5.866  -0.891   0.090  0.00  0.00    +0.116 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  C   LIG    1        1.551   0.145  -0.886  0.00  0.00    -0.005 A 
ATOM     17  C   LIG    1        2.952   0.300  -0.636  0.00  0.00    +0.029 A 
ATOM     18  C   LIG    1        3.738  -0.046  -1.724  0.00  0.00    +0.074 A 
ATOM     19  S   LIG    1        2.766  -0.532  -3.051  0.00  0.00    -0.091 S 
ATOM     20  C   LIG    1        1.322  -0.312  -2.166  0.00  0.00    +0.054 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.186  -0.037  -1.877  0.00  0.00    +0.251 C 
ATOM     22  N   LIG    1        5.898   0.006  -0.691  0.00  0.00    -0.302 N 
ATOM     23  H   LIG    1        5.412  -0.241   0.161  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1        5.776  -0.085  -2.955  0.00  0.00    -0.270 OA
BRANCH  22  25
ATOM     25  C   LIG    1        7.357  -0.127  -0.703  0.00  0.00    +0.217 C 
BRANCH  25  26
ATOM     26  C   LIG    1        8.034   0.217   0.620  0.00  0.00    +0.405 C 
ATOM     27  F   LIG    1        9.361  -0.021   0.570  0.00  0.00    -0.169 F 
ATOM     28  F   LIG    1        7.517  -0.529   1.625  0.00  0.00    -0.169 F 
ATOM     29  F   LIG    1        7.855   1.516   0.945  0.00  0.00    -0.169 F 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  18  21
ENDBRANCH   5  16
TORSDOF 5