REMARK  Name = BDB003733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.013  -0.777  -0.310  0.00  0.00    -0.128 NA
ATOM      2  C   LIG    1       -0.124  -1.273   0.075  0.00  0.00    +0.095 C 
ATOM      3  C   LIG    1       -0.516  -2.671   0.402  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -1.558  -2.873   1.313  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -1.932  -4.166   1.709  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.297  -5.273   1.155  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.311  -5.087   0.191  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.346  -1.733   1.814  0.00  0.00    +0.208 C 
ATOM      9  O   LIG    1       -3.121  -1.850   2.760  0.00  0.00    -0.285 OA
ATOM     10  C   LIG    1       -2.248  -0.435   1.070  0.00  0.00    +0.081 C 
ATOM     11  C   LIG    1        0.067  -3.795  -0.194  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -1.196  -0.258   0.261  0.00  0.00    +0.057 C 
ENDROOT
BRANCH   1  13
ATOM     13  S   LIG    1        2.414  -1.567  -0.403  0.00  0.00    +0.099 S 
ATOM     14  O   LIG    1        2.630  -2.333   0.809  0.00  0.00    -0.146 OA
ATOM     15  O   LIG    1        2.513  -2.203  -1.703  0.00  0.00    -0.146 OA
BRANCH  13  20
ATOM     16  C   LIG    1        6.541   2.893  -0.276  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1        5.498   1.813  -0.316  0.00  0.00    -0.050 A 
ATOM     18  C   LIG    1        5.166   1.195  -1.529  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        4.221   0.168  -1.566  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        3.610  -0.245  -0.380  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1        3.947   0.347   0.841  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        4.893   1.373   0.869  0.00  0.00    +0.005 A 
ENDBRANCH  13  20
ENDBRANCH   1  13
BRANCH  10  23
ATOM     23  N   LIG    1       -3.224   0.488   1.398  0.00  0.00    -0.311 N 
ATOM     24  H   LIG    1       -3.798   0.177   2.186  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.826   1.497   0.625  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1       -4.577   2.478   1.292  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1       -5.166   3.537   0.597  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1       -5.002   3.629  -0.777  0.00  0.00    +0.117 A 
ATOM     29  C   LIG    1       -4.257   2.680  -1.464  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1       -3.668   1.622  -0.761  0.00  0.00    +0.027 A 
BRANCH  28  31
ATOM     31  O   LIG    1       -5.592   4.675  -1.421  0.00  0.00    -0.507 OA
ATOM     32  H   LIG    1       -5.391   4.610  -2.369  0.00  0.00    +0.292 HD
ENDBRANCH  28  31
ENDBRANCH  23  25
ENDBRANCH  10  23
TORSDOF 5