REMARK  Name = BDB016539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.846  -1.602  -1.720  0.00  0.00    -0.255 N 
ATOM      2  C   LIG    1       -2.325  -0.302  -1.745  0.00  0.00    +0.333 A 
ATOM      3  O   LIG    1       -3.534  -0.061  -1.714  0.00  0.00    -0.246 OA
ATOM      4  N   LIG    1       -1.382   0.723  -1.819  0.00  0.00    -0.288 N 
ATOM      5  C   LIG    1        0.010   0.458  -1.974  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1        0.455  -0.865  -2.001  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1        1.815  -1.184  -2.148  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        2.751  -0.158  -2.252  0.00  0.00    +0.106 A 
ATOM      9  C   LIG    1        2.334   1.170  -2.257  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        0.973   1.472  -2.120  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -0.516  -1.958  -1.856  0.00  0.00    +0.265 A 
ATOM     12  O   LIG    1       -0.112  -3.119  -1.859  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   8  13
ATOM     13  S   LIG    1        4.469  -0.555  -2.442  0.00  0.00    +0.059 S 
ATOM     14  O   LIG    1        5.155   0.641  -2.879  0.00  0.00    -0.153 OA
ATOM     15  O   LIG    1        4.537  -1.780  -3.210  0.00  0.00    -0.153 OA
BRANCH  13  16
ATOM     16  N   LIG    1        4.971  -0.941  -0.889  0.00  0.00    -0.184 NA
ATOM     17  H   LIG    1        5.084  -1.941  -0.725  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        4.721  -0.068   0.266  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1        5.938   0.394   1.040  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1        5.124   1.386   0.268  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1        3.523  -0.475   1.089  0.00  0.00    +0.029 C 
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   8  13
BRANCH   1  22
ATOM     22  C   LIG    1       -2.809  -2.680  -1.528  0.00  0.00    +0.174 C 
BRANCH  22  26
ATOM     23  C   LIG    1       -4.083  -3.048   3.625  0.00  0.00    +0.073 C 
ATOM     24  C   LIG    1       -3.465  -3.197   2.280  0.00  0.00    +0.075 A 
ATOM     25  S   LIG    1       -4.102  -2.328   0.941  0.00  0.00    -0.076 S 
ATOM     26  C   LIG    1       -2.900  -3.016  -0.071  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1       -2.111  -3.869   0.676  0.00  0.00    +0.124 A 
ATOM     28  N   LIG    1       -2.433  -3.968   2.015  0.00  0.00    -0.252 NA
ENDBRANCH  22  26
ENDBRANCH   1  22
BRANCH   4  29
ATOM     29  C   LIG    1       -1.896   2.093  -1.699  0.00  0.00    +0.171 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.987   2.505  -0.255  0.00  0.00    +0.032 A 
ATOM     31  C   LIG    1       -3.081   2.515   0.601  0.00  0.00    +0.051 A 
ATOM     32  C   LIG    1       -4.478   2.097   0.304  0.00  0.00    +0.066 C 
ATOM     33  N   LIG    1       -2.815   2.971   1.884  0.00  0.00    -0.249 NA
ATOM     34  C   LIG    1       -1.553   3.313   1.998  0.00  0.00    +0.076 A 
ATOM     35  C   LIG    1       -0.934   3.841   3.242  0.00  0.00    +0.073 C 
ATOM     36  S   LIG    1       -0.614   3.122   0.580  0.00  0.00    -0.075 S 
ENDBRANCH  29  30
ENDBRANCH   4  29
TORSDOF 7