REMARK  Name = BDB029895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.489   0.366  -0.668  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.612   0.768   0.066  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.513   1.009   1.057  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.367  -0.258  -1.722  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.506   2.251   2.909  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        3.318   1.608   1.567  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        2.033   1.317   1.098  0.00  0.00    +0.138 A 
ATOM      8  F   LIG    1        0.982   1.644   1.867  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1        1.837   0.695  -0.137  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1        2.956   0.350  -0.911  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        4.253   0.607  -0.451  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.424   1.241   0.788  0.00  0.00    +0.016 A 
BRANCH  11  13
ATOM     13  C   LIG    1        5.418   0.244  -1.249  0.00  0.00    +0.068 A 
ATOM     14  N   LIG    1        5.706  -1.008  -1.752  0.00  0.00    -0.333 N 
ATOM     15  C   LIG    1        4.952  -2.224  -1.567  0.00  0.00    +0.150 C 
ATOM     16  C   LIG    1        6.888  -0.927  -2.434  0.00  0.00    +0.199 A 
ATOM     17  N   LIG    1        7.390   0.284  -2.392  0.00  0.00    -0.243 NA
ATOM     18  C   LIG    1        6.493   1.014  -1.658  0.00  0.00    +0.138 A 
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  N   LIG    1       -1.937   0.088  -0.302  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.822  -0.435  -1.187  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.510  -0.977   0.904  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1       -2.140  -2.312   0.487  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -2.073  -0.445   2.179  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.295  -0.786   0.758  0.00  0.00    +0.149 C 
ATOM     25  C   LIG    1       -4.751   0.620   1.179  0.00  0.00    +0.028 C 
ATOM     26  C   LIG    1       -6.077   1.044   0.543  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -6.982  -0.149   0.267  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -6.334  -1.145  -0.698  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -4.804  -1.153  -0.635  0.00  0.00    +0.028 C 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5