REMARK  Name = BDB030105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.805   1.710  -0.233  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.968   2.446  -0.926  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        1.804   0.807   0.084  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        1.549  -0.273   0.616  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.206   1.173  -0.248  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        3.545   2.379  -0.858  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        2.591   3.268  -1.181  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        4.878   2.673  -1.142  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        5.300   4.165  -1.893  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        5.883   1.762  -0.819  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        5.568   0.540  -0.208  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.223   0.256   0.074  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.639  -0.390   0.114  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        7.969  -0.098  -0.095  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        8.633  -1.159   0.304  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        7.789  -2.126   0.763  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        8.184  -3.413   1.274  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        6.511  -1.655   0.650  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.624   1.150  -0.213  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.619   0.204   0.205  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.348   1.076  -1.756  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -0.724   2.115  -2.551  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.321  -0.307  -2.173  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.033   1.570  -1.399  0.00  0.00    +0.190 C 
BRANCH  24  28
ATOM     25  C   LIG    1       -5.700  -1.160   0.662  0.00  0.00    +0.053 C 
ATOM     26  C   LIG    1       -4.663  -0.425   1.517  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1       -3.517   0.135   0.663  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -3.917   0.476  -0.785  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1       -5.391   0.897  -0.845  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -6.339  -0.211  -0.370  0.00  0.00    +0.019 C 
BRANCH  25  32
ATOM     31  C   LIG    1       -7.382  -1.168   2.473  0.00  0.00    +0.101 C 
ATOM     32  N   LIG    1       -6.703  -1.913   1.424  0.00  0.00    -0.316 NA
ATOM     33  H   LIG    1       -7.395  -2.300   0.781  0.00  0.00    +0.122 HD
ENDBRANCH  25  32
ENDBRANCH  24  28
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7