REMARK  Name = BDB015482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.584   1.310   0.723  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        0.008   0.165   0.343  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        1.254   0.256  -0.162  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        1.914   1.460  -0.266  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        1.209   2.557   0.166  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.037   2.527   0.640  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.888  -1.014  -0.595  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        1.636  -2.134   0.112  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        2.190  -3.362  -0.219  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        1.865  -4.512   0.610  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        3.042  -3.527  -1.306  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        3.574  -4.582  -1.639  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        3.300  -2.304  -2.109  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        2.748  -1.133  -1.763  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        1.755   3.855   0.055  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        2.766   3.935   0.144  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        1.226   4.740  -1.272  0.00  0.00    +0.041 S 
ATOM     18  O   LIG    1        2.246   5.748  -1.478  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        0.861   3.834  -2.339  0.00  0.00    -0.155 OA
ATOM     20  C   LIG    1       -0.225   5.555  -0.637  0.00  0.00    +0.218 C 
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  21
ATOM     21  O   LIG    1       -1.878   1.283   1.230  0.00  0.00    -0.422 OA
BRANCH  21  24
ATOM     22  C   LIG    1       -3.593   0.353  -0.851  0.00  0.00    +0.047 C 
ATOM     23  C   LIG    1       -3.305  -0.447   0.387  0.00  0.00    -0.005 A 
ATOM     24  C   LIG    1       -2.436   0.034   1.382  0.00  0.00    +0.153 A 
ATOM     25  C   LIG    1       -2.184  -0.723   2.537  0.00  0.00    +0.085 A 
ATOM     26 CL   LIG    1       -1.168  -0.133   3.802  0.00  0.00    -0.080 Cl
ATOM     27  C   LIG    1       -2.761  -1.984   2.687  0.00  0.00    +0.043 A 
ATOM     28  C   LIG    1       -3.595  -2.478   1.687  0.00  0.00    +0.043 A 
ATOM     29 CL   LIG    1       -4.300  -4.038   1.862  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1       -3.869  -1.721   0.546  0.00  0.00    +0.027 A 
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 5