REMARK  Name = BDB058922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.199   1.281  -1.569  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1       -0.165   1.722  -0.712  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1        2.182   0.883  -0.161  0.00  0.00    +0.259 C 
ATOM      4  N   LIG    1        1.721   1.058  -1.457  0.00  0.00    -0.228 N 
ATOM      5  H   LIG    1        2.098   0.450  -2.184  0.00  0.00    +0.171 HD
ATOM      6  O   LIG    1        1.481   1.126   0.819  0.00  0.00    -0.269 OA
BRANCH   3  10
ATOM      7  C   LIG    1        6.136  -0.703   0.383  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        5.806  -0.074  -0.823  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        4.523   0.450  -1.019  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.559   0.340  -0.008  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        3.897  -0.279   1.204  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        5.179  -0.802   1.397  0.00  0.00    +0.019 A 
BRANCH   7  14
ATOM     13  N   LIG    1        8.519  -1.667   0.737  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1        7.453  -1.237   0.580  0.00  0.00    +0.099 C 
ENDBRANCH   7  14
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  S   LIG    1       -0.690  -0.141  -1.952  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1        0.204  -1.271  -1.794  0.00  0.00    -0.152 OA
ATOM     17  O   LIG    1       -1.376   0.101  -3.203  0.00  0.00    -0.152 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -1.885  -0.181  -0.646  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1       -3.200   0.223  -0.894  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -4.152   0.187   0.136  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -3.769  -0.266   1.422  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -4.725  -0.298   2.450  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -6.039   0.110   2.215  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -6.415   0.553   0.950  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -2.444  -0.676   1.645  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -5.478   0.592  -0.083  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -1.503  -0.640   0.615  0.00  0.00    +0.029 A 
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5