REMARK  Name = BDB018486
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.439  -0.999  -0.701  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1        1.310  -1.769  -0.128  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.391  -3.115  -0.125  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        2.480  -3.803  -0.628  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        2.472  -5.257  -0.570  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        3.572  -3.152  -1.181  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        4.569  -3.704  -1.638  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        3.494  -1.672  -1.203  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  15
ATOM      9  C   LIG    1        4.488   3.216   0.659  0.00  0.00    +0.152 C 
ATOM     10  N   LIG    1        3.454   2.554  -0.120  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1        2.554   3.330  -0.848  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        2.558   4.556  -0.895  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        1.529   2.574  -1.611  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        1.512   1.236  -1.580  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        2.470   0.473  -0.792  0.00  0.00    -0.001 A 
ATOM     16  C   LIG    1        3.394   1.169  -0.099  0.00  0.00    +0.097 A 
ENDBRANCH   1  15
BRANCH   2  17
ATOM     17  C   LIG    1        0.149  -1.112   0.400  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -1.163  -1.403   0.094  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1       -1.936  -0.443   0.712  0.00  0.00    -0.237 N 
ATOM     20  N   LIG    1       -1.196   0.344   1.525  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1        0.064  -0.037   1.303  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.345  -0.337   0.704  0.00  0.00    +0.090 A 
ATOM     23  C   LIG    1       -4.010   0.899   0.785  0.00  0.00    +0.113 A 
ATOM     24  C   LIG    1       -5.412   0.922   0.891  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1       -6.143  -0.266   0.908  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.488  -1.487   0.791  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.096  -1.527   0.682  0.00  0.00    +0.030 A 
BRANCH  23  28
ATOM     28  S   LIG    1       -3.212   2.465   0.425  0.00  0.00    -0.004 S 
ATOM     29  O   LIG    1       -2.100   2.215  -0.473  0.00  0.00    -0.170 OA
ATOM     30  O   LIG    1       -4.267   3.365  -0.016  0.00  0.00    -0.170 OA
ATOM     31  C   LIG    1       -2.639   3.096   1.980  0.00  0.00    +0.200 C 
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 4