REMARK  Name = BDB007891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.872   0.733  -0.223  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1       -3.061   1.457  -1.396  0.00  0.00    +0.149 A 
ATOM      3  F   LIG    1       -4.274   1.902  -1.753  0.00  0.00    -0.203 F 
ATOM      4  C   LIG    1       -1.968   1.722  -2.196  0.00  0.00    +0.151 A 
ATOM      5  N   LIG    1       -0.708   1.326  -1.906  0.00  0.00    -0.237 NA
ATOM      6  C   LIG    1       -0.495   0.651  -0.758  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -1.565   0.319   0.083  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -4.959  -0.572   0.327  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -3.994   0.405   0.669  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -4.115   1.084   1.898  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -5.169   0.803   2.766  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -6.103  -0.158   2.411  0.00  0.00    +0.127 A 
ATOM     13  F   LIG    1       -7.114  -0.432   3.247  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -6.010  -0.848   1.207  0.00  0.00    +0.084 A 
BRANCH   8  16
ATOM     15  C   LIG    1       -5.809  -2.063  -1.334  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -4.767  -1.214  -0.871  0.00  0.00    -0.494 OA
ENDBRANCH   8  16
ENDBRANCH   1   9
BRANCH   6  17
ATOM     17  N   LIG    1        0.780   0.139  -0.423  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        0.893   0.119   0.584  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.026   0.525  -0.974  0.00  0.00    +0.124 A 
ATOM     20  N   LIG    1        2.169   1.641  -1.712  0.00  0.00    -0.240 NA
ATOM     21  C   LIG    1        3.400   1.962  -2.162  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1        4.534   1.210  -1.915  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        4.401   0.046  -1.160  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1        3.127  -0.287  -0.682  0.00  0.00    +0.049 A 
BRANCH  23  25
ATOM     25  C   LIG    1        5.590  -0.823  -0.859  0.00  0.00    +0.200 C 
BRANCH  25  26
ATOM     26  S   LIG    1        6.238  -0.410   0.759  0.00  0.00    -0.030 S 
ATOM     27  O   LIG    1        5.265  -0.792   1.767  0.00  0.00    -0.174 OA
ATOM     28  O   LIG    1        6.790   0.931   0.717  0.00  0.00    -0.174 OA
ATOM     29  C   LIG    1        7.607  -1.529   0.911  0.00  0.00    +0.194 C 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 6