REMARK  Name = BDB033393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.472  -0.093  -0.981  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1        0.572   0.729  -1.578  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -5.087  -1.565  -0.460  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.645  -1.135  -0.526  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -3.134  -0.009   0.176  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.773   0.309   0.056  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -1.550   1.429   0.832  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -0.636   1.848   0.977  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -2.708   1.839   1.431  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -0.888  -0.446  -0.728  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -1.412  -1.524  -1.441  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -3.707   0.972   1.046  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -2.755  -1.871  -1.333  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.069   1.078   1.472  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -6.175   1.166   1.814  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        1.505   0.021   0.361  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1        1.204   1.280   1.020  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        1.501  -1.239   1.072  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.152   0.228  -0.290  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        4.469   0.026   0.778  0.00  0.00    -0.043 S 
ATOM     21  C   LIG    1        5.545   0.390  -0.512  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1        4.819   0.651  -1.657  0.00  0.00    +0.133 A 
ATOM     23  N   LIG    1        3.445   0.570  -1.532  0.00  0.00    -0.228 NA
BRANCH  21  24
ATOM     24  C   LIG    1        7.014   0.397  -0.318  0.00  0.00    +0.425 C 
ATOM     25  F   LIG    1        7.670   0.714  -1.465  0.00  0.00    -0.165 F 
ATOM     26  F   LIG    1        7.485  -0.812   0.078  0.00  0.00    -0.165 F 
ATOM     27  F   LIG    1        7.402   1.303   0.614  0.00  0.00    -0.165 F 
ENDBRANCH  21  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5