REMARK  Name = BDB029809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.658  -1.921  -1.472  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.079  -2.676  -1.107  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        2.012  -2.187  -1.351  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        2.384  -3.327  -1.079  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.026  -1.129  -1.546  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        2.900  -0.138  -2.513  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        1.821  -0.098  -3.313  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        3.894   0.829  -2.657  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        3.731   2.071  -3.842  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        5.032   0.805  -1.849  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        5.189  -0.198  -0.884  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.181  -1.167  -0.748  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.364  -0.267  -0.027  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        6.625  -1.337   0.799  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        7.747  -1.047   1.415  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        8.225   0.168   1.023  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        9.431   0.790   1.504  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        7.356   0.683   0.101  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        0.063  -0.529  -1.318  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.374   0.124  -2.049  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        0.178   0.174   0.232  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        0.097  -0.883   1.214  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        1.309   1.075   0.169  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -1.316   1.153   0.285  0.00  0.00    +0.191 C 
BRANCH  24  30
ATOM     25  N   LIG    1       -7.186  -0.029   0.194  0.00  0.00    -0.300 N 
ATOM     26  H   LIG    1       -6.927  -1.001   0.227  0.00  0.00    +0.150 HD
ATOM     27  C   LIG    1       -6.212   0.867   0.547  0.00  0.00    +0.302 C 
ATOM     28  N   LIG    1       -4.928   0.416   0.365  0.00  0.00    -0.285 N 
ATOM     29  C   LIG    1       -3.799   1.252   0.724  0.00  0.00    +0.114 C 
ATOM     30  C   LIG    1       -2.578   0.347   0.555  0.00  0.00    +0.030 C 
ATOM     31  C   LIG    1       -3.020  -0.579  -0.582  0.00  0.00    +0.026 C 
ATOM     32  C   LIG    1       -4.496  -0.810  -0.284  0.00  0.00    +0.109 C 
ATOM     33  O   LIG    1       -6.460   1.990   0.977  0.00  0.00    -0.253 OA
BRANCH  25  35
ATOM     34  C   LIG    1       -9.036   0.068   1.813  0.00  0.00    +0.024 C 
ATOM     35  C   LIG    1       -8.590   0.279   0.377  0.00  0.00    +0.102 C 
ENDBRANCH  25  35
ENDBRANCH  24  30
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7