REMARK  Name = BDB001102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.535  -2.270  -0.515  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -1.934  -0.919  -0.395  0.00  0.00    +0.073 A 
ATOM      3  C   LIG    1       -0.581  -0.573  -0.118  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1       -0.575   0.819  -0.120  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1        0.479   1.637   0.094  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1        1.628   0.962   0.332  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1        2.898   1.728   0.591  0.00  0.00    +0.125 C 
ATOM      8  S   LIG    1        4.221   0.503   0.866  0.00  0.00    -0.150 S 
ATOM      9  C   LIG    1        3.133  -0.946   0.646  0.00  0.00    +0.110 C 
ATOM     10  C   LIG    1        1.763  -0.424   0.363  0.00  0.00    +0.027 A 
ATOM     11  N   LIG    1       -1.861   1.198  -0.386  0.00  0.00    -0.249 N 
ATOM     12  C   LIG    1       -2.361   2.546  -0.492  0.00  0.00    +0.174 C 
ATOM     13  C   LIG    1        0.644  -1.216   0.136  0.00  0.00    +0.135 A 
ATOM     14  N   LIG    1       -2.710   0.162  -0.557  0.00  0.00    -0.174 NA
ENDROOT
BRANCH  13  15
ATOM     15  O   LIG    1        0.799  -2.581   0.171  0.00  0.00    -0.506 OA
ATOM     16  H   LIG    1       -0.061  -2.995  -0.005  0.00  0.00    +0.292 HD
ENDBRANCH  13  15
TORSDOF 1