REMARK  Name = BDB029868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.516   0.028  -0.148  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1        2.273   0.679  -0.108  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        1.097  -0.021   0.198  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        1.176  -1.389   0.462  0.00  0.00    +0.138 A 
ATOM      5  F   LIG    1        0.070  -2.089   0.761  0.00  0.00    -0.204 F 
ATOM      6  C   LIG    1        2.398  -2.068   0.418  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        2.458  -3.533   0.732  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1        3.566  -1.348   0.123  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  11
ATOM      9  N   LIG    1        6.748   1.403  -0.960  0.00  0.00    -0.336 N 
ATOM     10  C   LIG    1        5.974   0.301  -0.722  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1        4.713   0.796  -0.460  0.00  0.00    +0.089 A 
ATOM     12  N   LIG    1        4.719   2.171  -0.545  0.00  0.00    -0.236 NA
ATOM     13  C   LIG    1        5.952   2.505  -0.848  0.00  0.00    +0.199 A 
BRANCH   9  15
ATOM     14  C   LIG    1        9.043   1.476  -0.069  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        8.156   1.405  -1.299  0.00  0.00    +0.119 C 
ENDBRANCH   9  15
ENDBRANCH   1  11
BRANCH   3  16
ATOM     16  C   LIG    1       -0.188   0.728   0.227  0.00  0.00    +0.262 C 
ATOM     17  N   LIG    1       -1.325   0.041   0.615  0.00  0.00    -0.228 N 
ATOM     18  H   LIG    1       -1.350  -0.982   0.597  0.00  0.00    +0.171 HD
ATOM     19  O   LIG    1       -0.239   1.915  -0.092  0.00  0.00    -0.269 OA
BRANCH  17  20
ATOM     20  N   LIG    1       -2.658   0.729   0.301  0.00  0.00    -0.112 NA
ATOM     21  H   LIG    1       -2.478   1.680  -0.065  0.00  0.00    +0.171 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -3.627  -0.131  -0.812  0.00  0.00    +0.047 S 
ATOM     23  O   LIG    1       -3.447   0.515  -2.094  0.00  0.00    -0.157 OA
ATOM     24  O   LIG    1       -3.341  -1.539  -0.626  0.00  0.00    -0.157 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -5.279   0.241  -0.199  0.00  0.00    +0.149 C 
ATOM     26  C   LIG    1       -6.338  -0.316  -1.165  0.00  0.00    +0.028 C 
ATOM     27  C   LIG    1       -7.687  -0.598  -0.497  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -7.932   0.315   0.696  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -6.862   0.140   1.774  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1       -5.497  -0.279   1.222  0.00  0.00    +0.028 C 
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   3  16
TORSDOF 6