REMARK  Name = BDB041466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.383   0.611   1.699  0.00  0.00    -0.181 N 
ATOM      2  H   LIG    1       -0.207  -0.116   2.087  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.051   1.221   0.482  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1        0.859   1.784  -0.239  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.384   1.128   0.103  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -2.399   0.966   1.057  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -3.747   0.855   0.673  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1       -4.071   0.925  -0.698  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1       -3.046   1.088  -1.649  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -1.714   1.194  -1.252  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -4.782   0.707   1.623  0.00  0.00    -0.336 N 
ATOM     12  C   LIG    1       -5.088   1.983   2.284  0.00  0.00    +0.129 C 
ATOM     13  C   LIG    1       -4.578  -0.407   2.556  0.00  0.00    +0.129 C 
ENDBRANCH   7  11
BRANCH   8  14
ATOM     14  C   LIG    1       -5.496   0.791  -1.184  0.00  0.00    +0.180 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -5.792  -0.573  -1.599  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1       -5.633  -0.941  -2.892  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1       -6.020  -2.219  -2.905  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1       -6.445  -2.667  -1.642  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1       -6.297  -1.577  -0.818  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1        1.931   0.523   2.307  0.00  0.00    +0.078 S 
ATOM     21  O   LIG    1        1.878  -0.422   3.405  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1        2.404   1.872   2.534  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1        2.544  -1.489   0.541  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1        2.871  -0.218   1.006  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1        3.962   0.478   0.464  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        4.742  -0.075  -0.571  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1        4.380  -1.350  -1.038  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        3.291  -2.045  -0.496  0.00  0.00    +0.048 A 
BRANCH  26  29
ATOM     29  C   LIG    1        5.923   0.721  -1.154  0.00  0.00    -0.013 C 
ATOM     30  C   LIG    1        6.698  -0.031  -2.260  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1        6.935   1.051  -0.034  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1        5.403   2.037  -1.772  0.00  0.00    +0.015 C 
ENDBRANCH  26  29
BRANCH  23  34
ATOM     33  C   LIG    1        1.816  -3.373   1.668  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        1.448  -2.147   1.032  0.00  0.00    -0.493 OA
ENDBRANCH  23  34
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 8