REMARK  Name = BDB030041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.319   0.291  -0.265  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.194  -0.903   0.435  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.825  -1.051   1.224  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.589   0.814  -0.901  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.081   0.776  -0.119  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.819   0.166  -0.195  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        1.647   0.936  -0.179  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        1.732   2.324  -0.099  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.622   3.076  -0.053  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        2.981   2.938  -0.026  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        3.107   4.654   0.088  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.151   2.173  -0.035  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        8.758  -0.894  -0.224  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        7.322  -0.796  -0.172  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        6.584   0.355  -0.193  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        5.270  -0.061  -0.127  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        5.210  -1.436  -0.066  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        6.457  -1.847  -0.094  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -1.214  -1.383   0.682  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.456  -2.333   0.386  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.941  -0.895   2.126  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -2.686  -2.033   2.618  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -0.899  -0.287   2.931  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.075   0.382   1.579  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.381  -0.132   0.956  0.00  0.00    +0.014 C 
ATOM     26  C   LIG    1       -4.146  -0.897  -0.359  0.00  0.00    +0.036 C 
ATOM     27  C   LIG    1       -5.367  -0.852  -1.271  0.00  0.00    +0.115 C 
ATOM     28  C   LIG    1       -5.678   0.583  -1.703  0.00  0.00    +0.031 C 
ATOM     29  C   LIG    1       -5.335   1.621  -0.634  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -5.383   1.031   0.771  0.00  0.00    +0.005 C 
BRANCH  27  31
ATOM     31  O   LIG    1       -5.125  -1.662  -2.415  0.00  0.00    -0.392 OA
ATOM     32  H   LIG    1       -5.891  -1.570  -3.008  0.00  0.00    +0.210 HD
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 7