REMARK  Name = BDB030223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.729   0.007  -0.340  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.372  -0.144  -1.163  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.331  -0.773  -1.971  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.618   0.434   0.808  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.473  -0.587  -0.479  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -3.180  -0.248  -0.039  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -2.060  -0.377  -0.879  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -2.238  -0.856  -2.175  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -1.185  -0.995  -2.998  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.511  -1.196  -2.629  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -3.736  -1.782  -4.234  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.619  -1.063  -1.791  0.00  0.00    +0.031 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -7.266   2.221   2.612  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -6.998   0.909   1.937  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -5.895   0.764   1.081  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -5.638  -0.445   0.411  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -6.528  -1.512   0.614  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -7.636  -1.375   1.451  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -7.873  -0.167   2.105  0.00  0.00    +0.003 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  N   LIG    1        1.736  -0.101  -0.457  0.00  0.00    -0.112 NA
ATOM     21  H   LIG    1        1.603   0.154   0.536  0.00  0.00    +0.171 HD
BRANCH  20  22
ATOM     22  S   LIG    1        2.598  -1.570  -0.546  0.00  0.00    +0.047 S 
ATOM     23  O   LIG    1        2.593  -2.130   0.786  0.00  0.00    -0.157 OA
ATOM     24  O   LIG    1        2.039  -2.304  -1.665  0.00  0.00    -0.157 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.272  -1.030  -0.986  0.00  0.00    +0.151 C 
ATOM     26  C   LIG    1        4.242  -0.087  -2.190  0.00  0.00    +0.034 C 
BRANCH  25  27
ATOM     27  C   LIG    1        5.091  -0.520   0.228  0.00  0.00    +0.028 C 
ATOM     28  C   LIG    1        4.529   0.765   0.868  0.00  0.00    +0.086 C 
ATOM     29  N   LIG    1        5.491   1.328   1.806  0.00  0.00    -0.316 NA
ATOM     30  H   LIG    1        5.072   2.086   2.344  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1        6.712   1.801   1.153  0.00  0.00    +0.081 C 
ATOM     32  C   LIG    1        7.028   1.087  -0.164  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1        6.593  -0.373  -0.122  0.00  0.00    +0.008 C 
ENDBRANCH  25  27
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6