REMARK  Name = BDB035920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.388   0.194  -0.281  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        1.341  -0.017   0.733  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.061   0.009   0.081  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.397   1.280  -0.608  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.824   1.940  -1.122  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.010   1.003  -1.451  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.305  -1.298   0.201  0.00  0.00    +0.105 A 
ATOM      8  C   LIG    1        5.464  -1.187   1.305  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        4.167  -0.687   1.137  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        3.672  -0.297  -0.121  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        4.548  -0.441  -1.212  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        5.849  -0.939  -1.064  0.00  0.00    +0.030 A 
BRANCH   7  13
ATOM     13  S   LIG    1        7.944  -1.943   0.410  0.00  0.00    +0.058 S 
ATOM     14  O   LIG    1        7.905  -2.914   1.481  0.00  0.00    -0.153 OA
ATOM     15  O   LIG    1        8.475  -2.266  -0.896  0.00  0.00    -0.153 OA
BRANCH  13  17
ATOM     16  C   LIG    1        8.871   0.602   0.217  0.00  0.00    +0.127 C 
ATOM     17  N   LIG    1        8.781  -0.619   1.001  0.00  0.00    -0.193 NA
ATOM     18  H   LIG    1        8.846  -0.572   2.015  0.00  0.00    +0.148 HD
ENDBRANCH  13  17
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   4  19
ATOM     19  C   LIG    1       -1.385   1.067  -1.677  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.731   0.622  -1.163  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1       -3.439   1.363  -0.216  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.694   0.927   0.229  0.00  0.00    -0.014 A 
ATOM     23  C   LIG    1       -5.443   1.726   1.245  0.00  0.00    +0.116 C 
ATOM     24  C   LIG    1       -6.803   1.189   1.613  0.00  0.00    +0.172 C 
ATOM     25  C   LIG    1       -7.312  -0.064   0.988  0.00  0.00    +0.102 C 
ATOM     26  C   LIG    1       -6.533  -0.762   0.130  0.00  0.00    -0.010 C 
ATOM     27  C   LIG    1       -6.917  -2.098  -0.464  0.00  0.00    +0.046 C 
ATOM     28  O   LIG    1       -7.477   1.788   2.451  0.00  0.00    -0.292 OA
ATOM     29  C   LIG    1       -5.209  -0.252  -0.291  0.00  0.00    +0.071 A 
ATOM     30  N   LIG    1       -4.545  -0.977  -1.220  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1       -3.336  -0.534  -1.632  0.00  0.00    +0.116 A 
BRANCH  25  32
ATOM     32  C   LIG    1       -8.705  -0.378   1.434  0.00  0.00    +0.421 C 
ATOM     33  F   LIG    1       -9.553   0.673   1.282  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -8.751  -0.758   2.736  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -9.282  -1.390   0.731  0.00  0.00    -0.166 F 
ENDBRANCH  25  32
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 6