REMARK  Name = BDB009417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.404  -0.424  -3.192  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.972   0.608  -3.931  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.220   1.385  -4.725  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.339   0.852  -3.856  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.143   0.056  -3.035  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.586  -0.997  -2.291  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.211  -1.247  -2.395  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        1.395  -1.824  -3.581  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.043  -0.698  -3.237  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.930   0.288  -2.814  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        1.525   1.513  -2.103  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        2.651   2.111  -1.241  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        3.355   1.061  -0.496  0.00  0.00    -0.297 N 
ATOM     14  C   LIG    1        3.726   1.303   0.821  0.00  0.00    +0.234 C 
ATOM     15  O   LIG    1        3.566   2.412   1.338  0.00  0.00    -0.274 OA
ATOM     16  C   LIG    1        3.828  -0.086  -1.294  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        3.357  -0.031  -2.757  0.00  0.00    +0.127 C 
BRANCH  14  18
ATOM     18  C   LIG    1        4.343   0.128   1.623  0.00  0.00    +0.151 C 
ATOM     19  N   LIG    1        4.941   0.592   2.900  0.00  0.00    -0.296 NA
ATOM     20  H   LIG    1        5.371   1.506   2.748  0.00  0.00    +0.123 HD
ATOM     21  C   LIG    1        3.868   0.758   3.878  0.00  0.00    +0.151 C 
ATOM     22  S   LIG    1        2.600  -0.480   3.545  0.00  0.00    -0.143 S 
ATOM     23  C   LIG    1        3.316  -0.953   1.953  0.00  0.00    +0.098 C 
ENDBRANCH  14  18
ENDBRANCH   1   9
BRANCH   6  24
ATOM     24  C   LIG    1       -3.460  -1.859  -1.405  0.00  0.00    +0.094 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.127  -1.072  -0.283  0.00  0.00    +0.087 A 
ATOM     26  C   LIG    1       -3.366  -0.827   0.992  0.00  0.00    +0.059 A 
ATOM     27  N   LIG    1       -2.050  -1.248   1.154  0.00  0.00    -0.342 N 
ATOM     28  H   LIG    1       -1.521  -1.294   0.289  0.00  0.00    +0.146 HD
ATOM     29  C   LIG    1       -1.260  -0.780   2.291  0.00  0.00    +0.102 C 
ATOM     30  C   LIG    1       -2.136  -0.753   3.540  0.00  0.00    +0.023 C 
ATOM     31  C   LIG    1       -3.403   0.079   3.308  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1       -4.032  -0.192   1.969  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1       -5.416   0.280   1.747  0.00  0.00    +0.270 A 
ATOM     34  O   LIG    1       -6.043   0.881   2.615  0.00  0.00    -0.266 OA
ATOM     35  N   LIG    1       -5.950   0.020   0.514  0.00  0.00    -0.243 N 
ATOM     36  H   LIG    1       -6.903   0.329   0.350  0.00  0.00    +0.192 HD
ATOM     37  N   LIG    1       -5.342  -0.657  -0.497  0.00  0.00    -0.174 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 4