REMARK  Name = BDB018326
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.061   0.964  -0.508  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1       -0.472   0.425   0.614  0.00  0.00    +0.117 A 
ATOM      3  N   LIG    1        0.794   0.071   0.244  0.00  0.00    -0.268 N 
ATOM      4  N   LIG    1        1.084   0.382  -1.036  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -0.051   0.920  -1.493  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  12
ATOM      6  C   LIG    1       -4.035   4.569  -1.794  0.00  0.00    +0.152 C 
ATOM      7  N   LIG    1       -3.899   3.224  -1.256  0.00  0.00    -0.318 N 
ATOM      8  C   LIG    1       -5.037   2.530  -0.869  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1       -6.185   2.958  -0.942  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -4.808   1.167  -0.333  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1       -3.567   0.658  -0.211  0.00  0.00    -0.004 A 
ATOM     12  C   LIG    1       -2.401   1.460  -0.622  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -2.629   2.689  -1.126  0.00  0.00    +0.098 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -3.492  -0.727   0.304  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -3.140  -1.780  -0.550  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -3.057  -3.086  -0.063  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -3.327  -3.349   1.279  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -3.679  -2.308   2.137  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -3.762  -1.001   1.653  0.00  0.00    +0.008 A 
ENDBRANCH  11  14
ENDBRANCH   1  12
BRANCH   3  20
ATOM     20  C   LIG    1        1.790  -0.594   1.081  0.00  0.00    +0.110 C 
ATOM     21  C   LIG    1        2.206  -1.949   0.491  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        3.501  -1.827  -0.300  0.00  0.00    +0.111 C 
ATOM     23  N   LIG    1        4.595  -1.385   0.596  0.00  0.00    -0.181 NA
ATOM     24  C   LIG    1        4.234  -0.457   1.690  0.00  0.00    +0.111 C 
ATOM     25  C   LIG    1        2.983   0.334   1.349  0.00  0.00    +0.044 C 
BRANCH  23  26
ATOM     26  S   LIG    1        6.147  -1.275  -0.069  0.00  0.00    +0.029 S 
ATOM     27  O   LIG    1        6.324  -2.382  -0.984  0.00  0.00    -0.158 OA
ATOM     28  O   LIG    1        7.078  -1.041   1.014  0.00  0.00    -0.158 OA
ATOM     29  C   LIG    1        6.041   0.221  -1.033  0.00  0.00    +0.215 C 
ENDBRANCH  23  26
ENDBRANCH   3  20
TORSDOF 4