REMARK  Name = BDB002540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.956   1.046   0.574  0.00  0.00    +0.192 A 
ATOM      2  N   LIG    1        1.755   0.683   1.119  0.00  0.00    -0.305 N 
ATOM      3  C   LIG    1        1.491   0.368   2.499  0.00  0.00    +0.153 C 
ATOM      4  C   LIG    1        0.857   0.721   0.080  0.00  0.00    +0.173 A 
ATOM      5  N   LIG    1        1.476   1.139  -1.006  0.00  0.00    -0.128 NA
ATOM      6  N   LIG    1        2.800   1.333  -0.696  0.00  0.00    -0.122 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -0.531   0.378   0.131  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -1.107  -0.838   0.433  0.00  0.00    +0.066 A 
ATOM      9 CL   LIG    1       -0.238  -2.273   0.824  0.00  0.00    -0.082 Cl
ATOM     10  C   LIG    1       -2.547  -0.808   0.389  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -3.011   0.460   0.030  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1       -4.390   0.749  -0.087  0.00  0.00    +0.061 A 
ATOM     13  C   LIG    1       -5.319  -0.261   0.166  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1       -4.880  -1.529   0.525  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -3.514  -1.814   0.637  0.00  0.00    +0.014 A 
ATOM     16  S   LIG    1       -1.711   1.554  -0.239  0.00  0.00    -0.084 S 
BRANCH  13  17
ATOM     17  O   LIG    1       -6.680  -0.131   0.095  0.00  0.00    -0.495 OA
ATOM     18  C   LIG    1       -7.188   1.135  -0.309  0.00  0.00    +0.277 C 
ENDBRANCH  13  17
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  S   LIG    1        4.438   1.097   1.459  0.00  0.00    -0.075 S 
BRANCH  19  20
ATOM     20  C   LIG    1        5.635   1.324   0.109  0.00  0.00    +0.197 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.714   0.177  -0.875  0.00  0.00    +0.317 C 
ATOM     22  O   LIG    1        6.136   0.316  -2.020  0.00  0.00    -0.250 OA
BRANCH  21  24
ATOM     23  C   LIG    1        5.431  -2.118  -1.247  0.00  0.00    +0.280 C 
ATOM     24  O   LIG    1        5.373  -1.024  -0.330  0.00  0.00    -0.467 OA
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6