REMARK  Name = BDB033477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.633   1.765   0.018  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -2.016   0.686  -0.679  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -1.256  -0.034   0.254  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.503  -1.163  -0.106  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.593  -1.599  -1.435  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -1.329  -0.896  -2.384  0.00  0.00    +0.003 A 
ATOM      7  N   LIG    1       -1.433   0.596   1.470  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -0.959   0.320   2.326  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -2.037   0.251  -2.021  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -2.253   1.685   1.338  0.00  0.00    +0.102 A 
ENDROOT
BRANCH   1  12
ATOM     11  N   LIG    1       -4.199   3.572  -0.979  0.00  0.00    -0.191 NA
ATOM     12  C   LIG    1       -3.497   2.765  -0.529  0.00  0.00    +0.101 C 
ENDBRANCH   1  12
BRANCH   4  13
ATOM     13  N   LIG    1        0.196  -2.022   0.796  0.00  0.00    -0.214 N 
ATOM     14  H   LIG    1       -0.419  -2.668   1.295  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  S   LIG    1        1.343  -1.390   1.859  0.00  0.00    +0.080 S 
ATOM     16  O   LIG    1        0.678  -0.426   2.713  0.00  0.00    -0.149 OA
ATOM     17  O   LIG    1        2.045  -2.521   2.424  0.00  0.00    -0.149 OA
BRANCH  15  18
ATOM     18  C   LIG    1        2.551  -0.515   0.936  0.00  0.00    +0.166 A 
ATOM     19  S   LIG    1        3.468   0.676   1.762  0.00  0.00    -0.036 S 
ATOM     20  C   LIG    1        4.309   0.986   0.321  0.00  0.00    +0.169 A 
ATOM     21 CL   LIG    1        5.532   2.188   0.283  0.00  0.00    -0.054 Cl
ATOM     22  N   LIG    1        3.985   0.279  -0.734  0.00  0.00    -0.234 NA
ATOM     23  C   LIG    1        2.977  -0.596  -0.374  0.00  0.00    +0.149 A 
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   4  13
TORSDOF 4