REMARK  Name = BDB015484
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.225  -1.426  -0.694  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.190  -0.285  -1.384  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.036   0.387  -1.312  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.033   0.020  -0.585  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.926  -1.116   0.129  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.205  -1.901   0.094  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.121  -1.482   0.925  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.983  -1.935   2.186  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.074  -2.280   2.972  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.831  -2.757   4.325  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.386  -2.167   2.519  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -5.386  -2.462   3.166  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.547  -1.640   1.140  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.472  -1.321   0.408  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.465  -2.100  -0.755  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        2.431  -3.117  -0.706  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.643  -1.525   0.301  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        2.997  -0.888   1.428  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        4.528  -2.654   0.498  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.486  -0.305  -0.708  0.00  0.00    +0.188 C 
BRANCH  20  22
ATOM     21  C   LIG    1        6.799  -0.373   0.367  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        5.564   0.458   0.056  0.00  0.00    +0.021 C 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  23
ATOM     23  O   LIG    1        0.001   1.566  -2.049  0.00  0.00    -0.422 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -1.198   2.242  -2.040  0.00  0.00    +0.153 A 
ATOM     25  C   LIG    1       -2.220   1.891  -2.934  0.00  0.00    +0.085 A 
ATOM     26 CL   LIG    1       -2.029   0.601  -4.066  0.00  0.00    -0.080 Cl
ATOM     27  C   LIG    1       -3.426   2.592  -2.929  0.00  0.00    +0.043 A 
ATOM     28  C   LIG    1       -3.600   3.647  -2.038  0.00  0.00    +0.043 A 
ATOM     29 CL   LIG    1       -5.089   4.510  -2.022  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1       -2.578   4.018  -1.161  0.00  0.00    +0.027 A 
ATOM     31  C   LIG    1       -1.357   3.330  -1.163  0.00  0.00    -0.005 A 
ATOM     32  C   LIG    1       -0.269   3.726  -0.206  0.00  0.00    +0.047 C 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7