REMARK  Name = BDB032979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.110  -2.870  -0.366  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -0.243  -1.408  -0.361  0.00  0.00    -0.037 A 
ATOM      3  C   LIG    1        0.708  -0.412  -0.632  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        0.327   0.934  -0.647  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -0.998   1.288  -0.376  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -1.977   0.325  -0.088  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -1.575  -1.021  -0.105  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1       -3.296   0.737   0.154  0.00  0.00    -0.326 N 
ATOM      9  C   LIG    1       -4.371  -0.278   0.097  0.00  0.00    +0.133 C 
ATOM     10  C   LIG    1       -5.744   0.409   0.160  0.00  0.00    +0.178 C 
ATOM     11  O   LIG    1       -5.872   1.210   1.346  0.00  0.00    -0.377 OA
ATOM     12  C   LIG    1       -4.861   2.230   1.359  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1       -3.446   1.630   1.330  0.00  0.00    +0.133 C 
ENDBRANCH   6   8
BRANCH   3  14
ATOM     14  C   LIG    1        2.126  -0.757  -0.927  0.00  0.00    +0.250 C 
ATOM     15  N   LIG    1        3.028  -0.075  -0.141  0.00  0.00    -0.261 N 
ATOM     16  H   LIG    1        2.706   0.543   0.588  0.00  0.00    +0.157 HD
ATOM     17  O   LIG    1        2.365  -1.591  -1.788  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        4.378  -0.249  -0.258  0.00  0.00    +0.167 A 
ATOM     19  S   LIG    1        5.291   0.666   0.863  0.00  0.00    -0.028 S 
ATOM     20  C   LIG    1        6.709   0.011   0.188  0.00  0.00    +0.185 A 
ATOM     21  C   LIG    1        6.410  -0.853  -0.838  0.00  0.00    +0.153 A 
ATOM     22  N   LIG    1        5.057  -0.996  -1.090  0.00  0.00    -0.231 NA
BRANCH  20  23
ATOM     23  N   LIG    1        8.005   0.357   0.672  0.00  0.00    +0.065 N 
ATOM     24  O   LIG    1        8.966  -0.182   0.108  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1        8.082   1.162   1.609  0.00  0.00    -0.126 OA
ENDBRANCH  20  23
ENDBRANCH  15  18
ENDBRANCH   3  14
TORSDOF 4