REMARK  Name = BDB002107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.462  -3.312   1.522  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1       -2.003  -1.901   1.577  0.00  0.00    +0.236 C 
ATOM      3  N   LIG    1       -1.575  -1.067   0.527  0.00  0.00    -0.160 N 
ATOM      4  O   LIG    1       -2.770  -1.583   2.488  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   5
ATOM      5  N   LIG    1       -0.846  -1.607  -0.508  0.00  0.00    -0.162 NA
ATOM      6  C   LIG    1        0.410  -1.299  -0.543  0.00  0.00    +0.167 C 
ATOM      7  C   LIG    1        1.281  -0.520   0.425  0.00  0.00    +0.221 C 
ATOM      8  O   LIG    1        0.965  -0.297   1.580  0.00  0.00    -0.284 OA
ATOM      9  C   LIG    1        2.573  -0.115  -0.118  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1        2.810  -0.712  -1.342  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        3.996  -0.469  -2.016  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        4.939   0.385  -1.433  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.691   0.979  -0.186  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        3.496   0.727   0.488  0.00  0.00    +0.013 A 
ATOM     15  S   LIG    1        1.484  -1.753  -1.842  0.00  0.00    -0.064 S 
ENDBRANCH   3   5
BRANCH   3  16
ATOM     16  C   LIG    1       -1.983   0.307   0.402  0.00  0.00    +0.063 A 
ATOM     17  C   LIG    1       -2.217   0.940  -0.844  0.00  0.00    -0.027 A 
ATOM     18  C   LIG    1       -2.225   0.214  -2.164  0.00  0.00    +0.046 C 
ATOM     19  C   LIG    1       -2.513   2.319  -0.876  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -2.616   3.063   0.296  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -2.425   2.442   1.522  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -2.112   1.082   1.571  0.00  0.00    +0.026 A 
ENDBRANCH   3  16
TORSDOF 2