REMARK  Name = BDB030078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.985   1.533  -0.754  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        1.069   1.920  -1.698  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        1.990   0.751  -0.214  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        1.781   0.006   0.743  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.340   0.826  -0.832  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        3.623   1.641  -1.927  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        2.658   2.397  -2.476  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        4.909   1.676  -2.463  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        5.262   2.685  -3.814  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        5.923   0.895  -1.910  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        5.663   0.064  -0.811  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.365   0.038  -0.280  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.742  -0.741  -0.258  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        8.035  -0.680  -0.730  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        8.720  -1.533  -0.002  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        7.924  -2.145   0.920  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        8.342  -3.137   1.876  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        6.657  -1.653   0.773  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.443   1.164  -0.331  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.409   0.483   0.446  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.381   0.515  -1.601  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -0.912   1.139  -2.823  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.369  -0.921  -1.446  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.010   1.157  -1.222  0.00  0.00    +0.190 C 
BRANCH  24  28
ATOM     25  C   LIG    1       -6.178  -0.365   1.080  0.00  0.00    +0.053 C 
ATOM     26  C   LIG    1       -4.789  -0.867   1.531  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1       -3.731  -0.625   0.460  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -3.515   0.880   0.203  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1       -4.799   1.694   0.483  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -6.062   0.889   0.189  0.00  0.00    +0.019 C 
BRANCH  25  32
ATOM     31  C   LIG    1       -8.417  -0.109   2.008  0.00  0.00    +0.101 C 
ATOM     32  N   LIG    1       -6.985  -0.128   2.287  0.00  0.00    -0.316 NA
ATOM     33  H   LIG    1       -6.806  -0.872   2.964  0.00  0.00    +0.122 HD
ENDBRANCH  25  32
ENDBRANCH  24  28
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7