REMARK  Name = BDB033492
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.080   1.488  -0.420  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.359   0.206   0.076  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        2.225  -0.677  -0.579  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1        2.285  -1.863   0.208  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1        1.454  -1.692   1.294  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        2.819  -0.267  -1.791  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        2.523   0.997  -2.312  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        0.894  -0.447   1.198  0.00  0.00    -0.358 N 
ATOM      9  H   LIG    1        0.181  -0.075   1.816  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1        1.662   1.858  -1.636  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        0.202   2.391   0.246  0.00  0.00    -0.213 N 
ATOM     12  H   LIG    1        0.192   2.318   1.262  0.00  0.00    +0.174 HD
BRANCH  11  13
ATOM     13  S   LIG    1       -1.395   2.468  -0.323  0.00  0.00    +0.090 S 
ATOM     14  O   LIG    1       -1.429   2.448  -1.768  0.00  0.00    -0.148 OA
ATOM     15  O   LIG    1       -2.074   3.486   0.450  0.00  0.00    -0.148 OA
BRANCH  13  20
ATOM     16  C   LIG    1       -2.606  -1.646   2.668  0.00  0.00    +0.073 C 
ATOM     17  C   LIG    1       -2.658  -0.709   1.512  0.00  0.00    +0.077 A 
ATOM     18  S   LIG    1       -3.804  -0.971   0.257  0.00  0.00    -0.079 S 
ATOM     19  C   LIG    1       -3.236   0.425  -0.553  0.00  0.00    +0.096 A 
ATOM     20  C   LIG    1       -2.210   0.997   0.170  0.00  0.00    +0.204 A 
ATOM     21  N   LIG    1       -1.866   0.335   1.359  0.00  0.00    -0.225 NA
ENDBRANCH  13  20
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   4  22
ATOM     22  C   LIG    1        3.048  -3.041  -0.064  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1        3.665  -4.000  -0.282  0.00  0.00    -0.191 NA
ENDBRANCH   4  22
TORSDOF 4