REMARK  Name = BDB015395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.704  -2.029  -0.023  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1       -0.769  -1.192  -0.663  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1       -0.702  -1.346  -1.948  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1       -1.594  -2.477  -2.291  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1       -2.448  -2.763  -1.062  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1       -0.053  -0.286   0.068  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1        0.512   0.869  -0.666  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        1.453   1.709   0.218  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1        2.596   0.951   0.765  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1        2.316  -0.491   0.865  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        0.827  -0.785   1.153  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1        3.859   1.365   0.146  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1        5.069   0.471   0.499  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        5.525   0.674  -0.967  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1        4.036   0.910  -1.321  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  O   LIG    1       -3.587  -2.726   1.533  0.00  0.00    -0.150 OA
ATOM     17  S   LIG    1       -2.565  -1.707   1.387  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1       -1.665  -1.431   2.487  0.00  0.00    -0.150 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -3.411  -0.188   1.001  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1       -2.805   1.033   1.310  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1       -3.471   2.218   1.013  0.00  0.00    +0.044 A 
ATOM     22 CL   LIG    1       -2.713   3.725   1.351  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1       -4.740   2.195   0.438  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1       -5.347   0.970   0.166  0.00  0.00    +0.044 A 
ATOM     25 CL   LIG    1       -6.919   0.935  -0.533  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -4.695  -0.228   0.450  0.00  0.00    +0.049 A 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4