REMARK  Name = BDB029935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.212  -0.305  -1.452  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.896   0.634  -1.198  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -2.466  -0.762  -1.084  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -2.729  -1.964  -1.076  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.485   0.246  -0.688  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -3.201   1.607  -0.604  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -1.967   2.062  -0.882  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -4.193   2.511  -0.227  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -3.843   4.196  -0.127  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -5.482   2.067   0.074  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -5.791   0.704  -0.001  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.783  -0.198  -0.384  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -7.122   0.197   0.301  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -7.487  -1.113   0.086  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -8.738  -1.202   0.475  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -9.199  -0.004   0.933  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1      -10.525   0.243   1.438  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -8.182   0.904   0.831  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.112  -1.371  -1.519  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.534  -2.309  -1.401  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.121  -1.154  -0.358  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        1.266   0.272  -0.152  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        0.844  -2.060   0.731  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.531  -1.754  -1.273  0.00  0.00    +0.192 C 
BRANCH  24  27
ATOM     25  N   LIG    1        5.697  -0.654  -0.504  0.00  0.00    -0.180 NA
ATOM     26  C   LIG    1        5.106  -1.863  -1.162  0.00  0.00    +0.115 C 
ATOM     27  C   LIG    1        3.776  -1.629  -0.421  0.00  0.00    +0.043 C 
ATOM     28  C   LIG    1        4.313  -0.207  -0.146  0.00  0.00    +0.115 C 
BRANCH  25  29
ATOM     29  S   LIG    1        6.976  -0.769   0.610  0.00  0.00    +0.034 S 
ATOM     30  O   LIG    1        6.428  -1.357   1.815  0.00  0.00    -0.158 OA
ATOM     31  O   LIG    1        8.093  -1.380  -0.078  0.00  0.00    -0.158 OA
BRANCH  29  33
ATOM     32  C   LIG    1        7.730   1.702  -0.355  0.00  0.00    +0.033 C 
ATOM     33  C   LIG    1        7.349   0.969   0.925  0.00  0.00    +0.142 C 
ATOM     34  C   LIG    1        8.465   1.076   1.961  0.00  0.00    +0.033 C 
ENDBRANCH  29  33
ENDBRANCH  25  29
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 8