REMARK  Name = BDB015540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.191   0.072  -0.560  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.779  -0.840  -0.582  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.935  -0.461  -0.020  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -2.175   0.746   0.514  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.167   1.641   0.488  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.057   1.347  -0.072  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.441   2.975   1.083  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1       -2.692   3.471   1.013  0.00  0.00    +0.099 A 
ATOM      9  N   LIG    1       -3.035   4.709   1.536  0.00  0.00    -0.316 N 
ATOM     10  C   LIG    1       -4.414   5.155   1.397  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.111   5.539   2.178  0.00  0.00    +0.269 A 
ATOM     12  O   LIG    1       -2.388   6.648   2.629  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -0.725   4.977   2.288  0.00  0.00    +0.106 A 
ATOM     14 CL   LIG    1        0.474   5.907   3.102  0.00  0.00    -0.078 Cl
ATOM     15  C   LIG    1       -0.436   3.776   1.770  0.00  0.00    +0.037 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        1.365  -0.412  -1.194  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        1.131  -1.360  -1.503  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.729  -0.493  -0.191  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        2.928   0.800   0.429  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.600  -1.701   0.592  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.003  -0.736  -1.422  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.364  -1.085  -0.825  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.454  -0.268   0.321  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.043   0.091  -0.121  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1       -3.008  -1.344   0.037  0.00  0.00    -0.423 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.796  -2.595  -0.499  0.00  0.00    +0.138 A 
ATOM     27  C   LIG    1       -2.258  -3.617   0.303  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -1.849  -3.367   1.727  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -2.056  -4.881  -0.265  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -2.418  -5.129  -1.589  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -2.988  -4.119  -2.363  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -3.199  -2.843  -1.824  0.00  0.00    -0.008 A 
ATOM     33  C   LIG    1       -3.805  -1.762  -2.671  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8