REMARK  Name = BDB035958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.903  -0.741   1.389  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.496  -0.578   1.292  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.919  -1.669   0.557  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.252  -1.917   0.208  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.230  -0.985   0.631  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        2.818   0.118   1.383  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        3.598   1.271   1.901  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        2.568   1.870   2.859  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1        1.245   1.480   2.430  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1       -0.160  -2.431   0.236  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        1.475   0.320   1.705  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1       -1.306  -1.848   0.757  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.738   0.151   2.046  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1       -1.350   1.044   2.343  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -3.405   0.152   1.913  0.00  0.00    +0.081 S 
ATOM     16  O   LIG    1       -3.848   1.412   2.482  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -3.874  -1.101   2.467  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -4.618  -0.625  -0.455  0.00  0.00    +0.150 A 
ATOM     19  C   LIG    1       -3.719   0.242   0.172  0.00  0.00    +0.191 A 
ATOM     20  C   LIG    1       -3.057   1.214  -0.593  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1       -3.243   1.272  -1.978  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -4.136   0.402  -2.599  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -4.836  -0.530  -1.836  0.00  0.00    +0.048 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -4.964  -2.846   0.067  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -5.397  -1.497   0.254  0.00  0.00    -0.493 OA
ENDBRANCH  18  25
BRANCH  20  26
ATOM     26  O   LIG    1       -2.171   2.087  -0.014  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1       -2.703   3.414   0.007  0.00  0.00    +0.277 C 
ENDBRANCH  20  26
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  28
ATOM     28  C   LIG    1        4.673  -1.199   0.242  0.00  0.00    +0.179 C 
BRANCH  28  29
ATOM     29  N   LIG    1        4.893  -0.901  -1.168  0.00  0.00    -0.264 N 
ATOM     30  N   LIG    1        4.912  -1.907  -2.076  0.00  0.00    -0.176 NA
ATOM     31  C   LIG    1        5.145  -1.280  -3.236  0.00  0.00    +0.172 A 
ATOM     32  C   LIG    1        5.286   0.098  -3.053  0.00  0.00    +0.161 A 
ATOM     33  F   LIG    1        5.529   1.013  -3.992  0.00  0.00    -0.202 F 
ATOM     34  C   LIG    1        5.130   0.331  -1.715  0.00  0.00    +0.147 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7