REMARK  Name = BDB003055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.587  -0.530  -2.133  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.838  -0.030  -1.040  0.00  0.00    +0.266 C 
ATOM      3  N   LIG    1        2.125   0.167  -0.592  0.00  0.00    -0.305 N 
ATOM      4  H   LIG    1        2.231   0.720   0.254  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.198   0.424  -0.103  0.00  0.00    +0.171 A 
ATOM      6  C   LIG    1       -1.620   0.331  -0.218  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.456  -0.254  -1.300  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -3.553  -1.191  -0.785  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -4.690  -0.495  -0.027  0.00  0.00    +0.001 C 
ATOM     10  C   LIG    1       -4.334  -0.036   1.392  0.00  0.00    +0.008 C 
ATOM     11  C   LIG    1       -3.439   1.201   1.450  0.00  0.00    +0.077 C 
ATOM     12  C   LIG    1       -2.082   0.936   0.928  0.00  0.00    +0.141 A 
ATOM     13  O   LIG    1       -1.038   1.354   1.683  0.00  0.00    -0.359 OA
ATOM     14  N   LIG    1        0.144   1.037   1.048  0.00  0.00    -0.073 NA
ENDBRANCH   2   5
BRANCH   3  15
ATOM     15  C   LIG    1        3.258  -0.042  -1.454  0.00  0.00    +0.147 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.499   0.002  -0.626  0.00  0.00    +0.007 A 
ATOM     17  S   LIG    1        5.416   1.446  -0.516  0.00  0.00    -0.100 S 
ATOM     18  C   LIG    1        6.559   0.717   0.526  0.00  0.00    +0.045 A 
ATOM     19  C   LIG    1        6.253  -0.599   0.789  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        5.063  -1.012   0.124  0.00  0.00    +0.013 A 
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 3