REMARK  Name = BDB046819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.208  -1.858   1.426  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1       -0.132  -2.715   1.860  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.654  -1.194   0.511  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.964  -0.881   0.881  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -2.806  -0.191  -0.002  0.00  0.00    +0.041 A 
ATOM      6  N   LIG    1       -4.155   0.136   0.334  0.00  0.00    -0.274 N 
ATOM      7  C   LIG    1       -4.924   1.000  -0.445  0.00  0.00    +0.220 C 
ATOM      8  C   LIG    1       -4.192   1.738  -1.541  0.00  0.00    +0.101 C 
ATOM      9  C   LIG    1       -3.221   0.830  -2.259  0.00  0.00    +0.046 C 
ATOM     10  O   LIG    1       -6.112   1.243  -0.227  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -4.761  -0.437   1.527  0.00  0.00    +0.138 C 
ATOM     12  C   LIG    1       -2.309   0.170  -1.266  0.00  0.00    -0.025 A 
ATOM     13  C   LIG    1       -0.994  -0.155  -1.631  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -0.164  -0.827  -0.738  0.00  0.00    +0.025 A 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1        1.048  -0.912   2.550  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1        0.210   0.189   2.973  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        1.600  -1.841   3.515  0.00  0.00    -0.150 OA
BRANCH  15  21
ATOM     18  C   LIG    1        4.538   0.722   0.094  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        4.585  -0.578   0.612  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        3.517  -1.082   1.359  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        2.397  -0.278   1.588  0.00  0.00    +0.109 A 
ATOM     22  C   LIG    1        2.350   1.031   1.104  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        3.422   1.526   0.357  0.00  0.00    +0.016 A 
BRANCH  18  25
ATOM     24  C   LIG    1        6.098   0.125  -2.108  0.00  0.00    +0.090 C 
ATOM     25  S   LIG    1        5.886   1.411  -0.849  0.00  0.00    -0.129 S 
ENDBRANCH  18  25
ENDBRANCH  15  21
ENDBRANCH   1  15
TORSDOF 4