REMARK  Name = BDB038879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.717  -1.033  -0.302  0.00  0.00    +0.096 A 
ATOM      2  C   LIG    1       -1.649   0.011  -0.241  0.00  0.00    +0.074 A 
ATOM      3  N   LIG    1       -1.472   1.376  -0.193  0.00  0.00    -0.352 N 
ATOM      4  H   LIG    1       -0.573   1.838  -0.211  0.00  0.00    +0.166 HD
ATOM      5  C   LIG    1       -2.677   2.032  -0.130  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -3.674   1.059  -0.164  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -5.021   1.473  -0.121  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -5.319   2.838  -0.042  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.299   3.786  -0.009  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.956   3.402  -0.054  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -3.025  -0.214  -0.249  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -3.488  -1.534  -0.333  0.00  0.00    +0.045 A 
ATOM     13  CA  LIG    1       -2.523  -2.529  -0.422  0.00  0.00    +0.149 A 
ATOM     14  N   LIG    1       -1.185  -2.302  -0.416  0.00  0.00    -0.238 NA
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        3.542  -0.484  -0.274  0.00  0.00    +0.156 A 
ATOM     16  C   LIG    1        2.938  -1.318  -1.215  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1        1.551  -1.498  -1.216  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        0.735  -0.844  -0.280  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        1.363  -0.033   0.679  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1        2.752   0.150   0.683  0.00  0.00    +0.049 A 
BRANCH  15  21
ATOM     21  O   LIG    1        4.906  -0.385  -0.367  0.00  0.00    -0.346 OA
BRANCH  21  23
ATOM     22  C   LIG    1        7.329   0.396  -0.301  0.00  0.00    +0.242 C 
ATOM     23  S   LIG    1        5.751   0.763   0.424  0.00  0.00    +0.118 S 
ATOM     24  O   LIG    1        5.338   2.074  -0.036  0.00  0.00    -0.137 OA
ATOM     25  O   LIG    1        5.815   0.433   1.833  0.00  0.00    -0.137 OA
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH  13  26
ATOM     26  C   LIG    1       -2.985  -3.945  -0.535  0.00  0.00    +0.355 C 
ATOM     27  O   LIG    1       -4.147  -4.315  -0.534  0.00  0.00    -0.243 OA
BRANCH  26  28
ATOM     28  OXT LIG    1       -1.977  -4.833  -0.648  0.00  0.00    -0.476 OA
ATOM     29  HXT LIG    1       -2.419  -5.703  -0.705  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  13  26
TORSDOF 5