REMARK  Name = BDB015483
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.065   0.886  -0.431  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.973  -0.396  -0.791  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.741  -0.910  -0.750  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.371  -0.239  -0.405  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.222   1.050  -0.043  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        1.010   1.668  -0.029  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.466   1.737   0.383  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.694   3.019   0.036  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.853   3.691   0.401  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -3.015   5.075  -0.016  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.869   3.085   1.137  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.912   3.629   1.485  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.634   1.666   1.506  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.503   1.050   1.140  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        3.388   1.381  -0.409  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        3.507   2.368  -0.630  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        4.264   1.012   0.980  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        3.351   0.914   2.098  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        5.345   1.977   0.994  0.00  0.00    -0.155 OA
BRANCH  17  21
ATOM     20  C   LIG    1        5.900  -1.063   1.677  0.00  0.00    +0.030 C 
ATOM     21  C   LIG    1        4.949  -0.597   0.592  0.00  0.00    +0.185 C 
ENDBRANCH  17  21
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  22
ATOM     22  O   LIG    1        0.651  -2.245  -1.128  0.00  0.00    -0.422 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -0.547  -2.864  -0.849  0.00  0.00    +0.153 A 
ATOM     24  C   LIG    1       -0.812  -3.360   0.437  0.00  0.00    +0.085 A 
ATOM     25 CL   LIG    1        0.338  -3.219   1.717  0.00  0.00    -0.080 Cl
ATOM     26  C   LIG    1       -2.024  -3.996   0.705  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1       -2.959  -4.144  -0.315  0.00  0.00    +0.043 A 
ATOM     28 CL   LIG    1       -4.460  -4.921   0.013  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1       -2.693  -3.676  -1.603  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1       -1.474  -3.045  -1.890  0.00  0.00    -0.005 A 
ATOM     31  C   LIG    1       -1.200  -2.532  -3.275  0.00  0.00    +0.047 C 
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 6