REMARK  Name = BDB029910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.698  -1.317  -0.614  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.863  -2.139  -1.202  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -1.745  -0.483  -0.263  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -1.547   0.672   0.112  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.128  -1.019  -0.362  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -3.405  -2.307  -0.817  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -2.407  -3.121  -1.198  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -4.722  -2.760  -0.886  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -5.066  -4.352  -1.446  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -5.773  -1.928  -0.501  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -5.520  -0.627  -0.042  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.191  -0.183   0.023  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -6.638   0.217   0.351  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -7.946  -0.218   0.325  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -8.667   0.800   0.738  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -7.881   1.875   1.031  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       -8.347   3.151   1.510  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -6.582   1.524   0.790  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        0.654  -0.625  -0.830  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.594   0.356  -0.508  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.187  -0.654  -2.448  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        1.043   0.688  -2.966  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        0.543  -1.785  -3.084  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.924  -1.026  -2.259  0.00  0.00    +0.193 C 
BRANCH  24  30
ATOM     25  N   LIG    1        7.148  -0.001   0.798  0.00  0.00    -0.300 N 
ATOM     26  H   LIG    1        7.405   0.435  -0.075  0.00  0.00    +0.150 HD
ATOM     27  C   LIG    1        5.819   0.087   1.129  0.00  0.00    +0.302 C 
ATOM     28  N   LIG    1        4.999   0.269   0.044  0.00  0.00    -0.285 N 
ATOM     29  C   LIG    1        5.169  -0.209  -1.320  0.00  0.00    +0.116 C 
ATOM     30  C   LIG    1        3.662   0.058  -1.500  0.00  0.00    +0.046 C 
ATOM     31  C   LIG    1        3.556   0.056   0.038  0.00  0.00    +0.116 C 
ATOM     32  O   LIG    1        5.397   0.004   2.277  0.00  0.00    -0.253 OA
BRANCH  25  34
ATOM     33  C   LIG    1        8.495   1.240   2.440  0.00  0.00    +0.024 C 
ATOM     34  C   LIG    1        8.170  -0.107   1.818  0.00  0.00    +0.102 C 
ENDBRANCH  25  34
ENDBRANCH  24  30
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7