REMARK  Name = BDB030181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.386   0.341  -0.785  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.533  -0.337  -1.537  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        0.866   0.508  -0.221  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        1.011   1.030   0.883  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.045   0.026  -0.987  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        1.932  -0.602  -2.227  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        0.723  -0.803  -2.778  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        3.072  -1.030  -2.904  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        2.935  -1.803  -4.438  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        4.336  -0.837  -2.347  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        4.476  -0.212  -1.099  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        3.321   0.216  -0.428  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        5.807  -0.027  -0.543  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        6.954  -0.389  -1.216  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        7.949  -0.080  -0.415  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        7.494   0.466   0.748  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        8.314   0.913   1.845  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        6.129   0.509   0.687  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -1.577   0.512   0.172  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -1.260   0.951   1.054  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.357  -0.960   0.569  0.00  0.00    +0.076 S 
ATOM     22  O   LIG    1       -2.165  -1.842  -0.568  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -1.950  -1.351   1.899  0.00  0.00    -0.152 OA
BRANCH  21  28
ATOM     24  C   LIG    1       -6.736   0.269   0.717  0.00  0.00    +0.164 A 
ATOM     25  C   LIG    1       -5.774   0.902   1.517  0.00  0.00    +0.196 A 
ATOM     26  C   LIG    1       -4.436   0.524   1.469  0.00  0.00    +0.194 A 
ATOM     27  F   LIG    1       -3.535   1.153   2.239  0.00  0.00    -0.199 F 
ATOM     28  C   LIG    1       -4.049  -0.495   0.613  0.00  0.00    +0.146 A 
ATOM     29  C   LIG    1       -4.990  -1.141  -0.196  0.00  0.00    +0.035 A 
ATOM     30  C   LIG    1       -6.336  -0.758  -0.141  0.00  0.00    +0.051 A 
BRANCH  24  32
ATOM     31  C   LIG    1       -9.025   0.121   0.079  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -8.014   0.742   0.867  0.00  0.00    -0.491 OA
ENDBRANCH  24  32
BRANCH  25  33
ATOM     33  O   LIG    1       -6.156   1.914   2.360  0.00  0.00    -0.501 OA
ATOM     34  H   LIG    1       -7.121   2.009   2.238  0.00  0.00    +0.292 HD
ENDBRANCH  25  33
ENDBRANCH  21  28
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7