REMARK  Name = BDB030066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.521  -1.143   1.395  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        1.613  -2.162   1.349  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        2.498  -0.316   0.869  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        2.260   0.860   0.596  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.847  -0.896   0.633  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        4.142  -2.236   0.879  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        3.195  -3.066   1.346  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        5.424  -2.728   0.640  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        5.792  -4.384   0.948  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        6.428  -1.891   0.150  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        6.155  -0.541  -0.106  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.860  -0.056   0.141  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        7.172   0.367  -0.614  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        6.975   1.726  -0.716  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        8.089   2.212  -1.213  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        9.001   1.224  -1.437  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       10.323   1.409  -1.978  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        8.435   0.037  -1.061  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        0.082  -0.622   1.283  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.094   0.353   0.938  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -0.904  -1.567   0.253  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -0.406  -2.925   0.342  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -0.971  -0.871  -1.012  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.480  -1.467   1.093  0.00  0.00    +0.190 C 
BRANCH  24  27
ATOM     25  C   LIG    1       -4.742   1.155   0.731  0.00  0.00    +0.078 C 
ATOM     26  C   LIG    1       -3.637   0.530  -0.147  0.00  0.00    +0.027 C 
ATOM     27  C   LIG    1       -3.009  -0.045   1.150  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -4.407   0.098   1.807  0.00  0.00    +0.027 C 
BRANCH  25  33
ATOM     29  C   LIG    1       -9.036  -0.452  -1.267  0.00  0.00    +0.133 C 
ATOM     30  N   LIG    1       -7.968   0.441  -0.893  0.00  0.00    -0.287 N 
ATOM     31  C   LIG    1       -6.764  -0.007  -0.338  0.00  0.00    +0.305 C 
ATOM     32  O   LIG    1       -6.379  -1.164  -0.305  0.00  0.00    -0.252 OA
ATOM     33  N   LIG    1       -6.100   1.117   0.183  0.00  0.00    -0.281 N 
ATOM     34  C   LIG    1       -6.829   2.320  -0.144  0.00  0.00    +0.128 C 
ATOM     35  C   LIG    1       -8.210   1.815  -0.527  0.00  0.00    +0.128 C 
ENDBRANCH  25  33
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7