REMARK  Name = BDB003062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.278  -0.488   0.267  0.00  0.00    +0.134 A 
ATOM      2  S   LIG    1        0.031   0.318  -0.513  0.00  0.00    -0.030 S 
ATOM      3  C   LIG    1        1.098  -0.630   0.411  0.00  0.00    +0.188 A 
ATOM      4  N   LIG    1        0.505  -1.470   1.226  0.00  0.00    -0.125 NA
ATOM      5  N   LIG    1       -0.870  -1.389   1.144  0.00  0.00    -0.140 NA
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -5.447   0.291  -0.502  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1       -4.468   1.005  -1.193  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -3.107   0.769  -0.960  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -2.692  -0.191  -0.026  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -3.692  -0.901   0.662  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -5.054  -0.665   0.429  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -7.768  -0.080  -0.147  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -6.733   0.622  -0.826  0.00  0.00    -0.495 OA
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  N   LIG    1        2.460  -0.535   0.323  0.00  0.00    -0.258 N 
ATOM     15  H   LIG    1        2.974  -1.162   0.933  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1        3.192   0.300  -0.487  0.00  0.00    +0.271 C 
ATOM     17  O   LIG    1        2.755   1.120  -1.286  0.00  0.00    -0.268 OA
BRANCH  16  18
ATOM     18  C   LIG    1        4.639   0.122  -0.310  0.00  0.00    +0.168 A 
ATOM     19  N   LIG    1        5.142  -0.772   0.560  0.00  0.00    -0.073 NA
ATOM     20  O   LIG    1        6.518  -0.666   0.461  0.00  0.00    -0.359 OA
ATOM     21  C   LIG    1        6.836   0.282  -0.460  0.00  0.00    +0.135 A 
ATOM     22  C   LIG    1        8.272   0.520  -0.687  0.00  0.00    +0.089 C 
ATOM     23  C   LIG    1        5.682   0.812  -0.979  0.00  0.00    +0.080 A 
ENDBRANCH  16  18
ENDBRANCH   3  14
TORSDOF 4