REMARK  Name = BDB031679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.617  -0.553   1.994  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.068  -1.262   0.917  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        1.125  -0.874   0.296  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        1.373  -1.823  -0.742  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.344  -2.733  -0.744  0.00  0.00    +0.084 A 
ATOM      6  C   LIG    1        1.808   0.276   0.771  0.00  0.00    -0.009 A 
ATOM      7  C   LIG    1        1.255   0.981   1.857  0.00  0.00    +0.011 A 
ATOM      8  N   LIG    1       -0.518  -2.387   0.259  0.00  0.00    -0.359 N 
ATOM      9  H   LIG    1       -1.363  -2.890   0.491  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1        0.062   0.577   2.452  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        3.056   0.709   0.136  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1        4.267   0.691   0.847  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        5.457   1.111   0.248  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.454   1.559  -1.071  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        4.262   1.588  -1.792  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.072   1.167  -1.192  0.00  0.00    +0.008 A 
ENDBRANCH   6  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.866  -0.924   2.558  0.00  0.00    -0.214 N 
ATOM     18  H   LIG    1       -2.091  -1.910   2.660  0.00  0.00    +0.174 HD
BRANCH  17  19
ATOM     19  S   LIG    1       -3.211   0.059   2.314  0.00  0.00    +0.072 S 
ATOM     20  O   LIG    1       -2.974   1.362   2.896  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -4.360  -0.737   2.692  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1       -3.949  -0.575  -1.620  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1       -3.917  -0.719  -0.230  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1       -3.261   0.245   0.544  0.00  0.00    +0.110 A 
ATOM     25  C   LIG    1       -2.671   1.363  -0.053  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1       -2.708   1.502  -1.440  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -3.341   0.533  -2.222  0.00  0.00    +0.019 A 
BRANCH  22  29
ATOM     28  N   LIG    1       -5.108  -2.384  -3.075  0.00  0.00    -0.191 NA
ATOM     29  C   LIG    1       -4.596  -1.567  -2.429  0.00  0.00    +0.099 C 
ENDBRANCH  22  29
ENDBRANCH  19  24
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5