REMARK  Name = BDB029896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.576   0.422  -0.123  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -2.337  -0.189   0.118  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -1.171   0.269  -0.516  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -1.257   1.348  -1.397  0.00  0.00    +0.138 A 
ATOM      5  F   LIG    1       -0.156   1.818  -2.005  0.00  0.00    -0.204 F 
ATOM      6  C   LIG    1       -2.481   1.969  -1.663  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -2.543   3.151  -2.584  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -3.634   1.506  -1.012  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  12
ATOM      9  N   LIG    1       -6.866  -0.561   0.991  0.00  0.00    -0.271 N 
ATOM     10  N   LIG    1       -6.200  -1.025   2.063  0.00  0.00    -0.179 NA
ATOM     11  C   LIG    1       -4.927  -0.727   1.792  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1       -4.769  -0.062   0.552  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -6.056   0.025   0.060  0.00  0.00    +0.116 A 
BRANCH   9  15
ATOM     14  C   LIG    1       -8.714  -2.075   0.390  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1       -8.307  -0.711   0.918  0.00  0.00    +0.140 C 
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   3  16
ATOM     16  C   LIG    1        0.112  -0.419  -0.211  0.00  0.00    +0.262 C 
ATOM     17  N   LIG    1        1.247   0.003  -0.880  0.00  0.00    -0.228 N 
ATOM     18  H   LIG    1        1.275   0.922  -1.331  0.00  0.00    +0.171 HD
ATOM     19  O   LIG    1        0.155  -1.328   0.617  0.00  0.00    -0.269 OA
BRANCH  17  20
ATOM     20  N   LIG    1        2.581  -0.467  -0.286  0.00  0.00    -0.112 NA
ATOM     21  H   LIG    1        2.402  -1.159   0.460  0.00  0.00    +0.171 HD
BRANCH  20  22
ATOM     22  S   LIG    1        3.529   0.807   0.346  0.00  0.00    +0.047 S 
ATOM     23  O   LIG    1        3.324   0.810   1.777  0.00  0.00    -0.157 OA
ATOM     24  O   LIG    1        3.237   1.975  -0.462  0.00  0.00    -0.157 OA
BRANCH  22  25
ATOM     25  C   LIG    1        5.197   0.229  -0.028  0.00  0.00    +0.149 C 
ATOM     26  C   LIG    1        6.220   1.291   0.393  0.00  0.00    +0.028 C 
ATOM     27  C   LIG    1        7.650   0.833   0.127  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1        7.942  -0.510   0.788  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        6.928  -1.571   0.371  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        5.495  -1.118   0.638  0.00  0.00    +0.028 C 
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   3  16
TORSDOF 6