REMARK  Name = BDB059050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.426  -0.655   0.052  0.00  0.00    -0.245 N 
ATOM      2  H   LIG    1        0.876   0.236  -0.167  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1       -0.849   1.681  -0.392  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -1.525   0.716  -0.036  0.00  0.00    +0.264 C 
ATOM      5  N   LIG    1       -0.973  -0.539   0.116  0.00  0.00    -0.231 N 
ATOM      6  H   LIG    1       -1.498  -1.284   0.578  0.00  0.00    +0.173 HD
BRANCH   4   7
ATOM      7  C   LIG    1       -2.984   0.861   0.255  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1       -3.792  -0.165   0.770  0.00  0.00    +0.129 A 
ATOM      9  C   LIG    1       -5.151   0.056   1.017  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -5.714   1.305   0.752  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -4.924   2.333   0.244  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.567   2.112  -0.002  0.00  0.00    +0.017 A 
BRANCH   8  13
ATOM     13  O   LIG    1       -3.267  -1.399   1.048  0.00  0.00    -0.506 OA
ATOM     14  H   LIG    1       -3.959  -1.962   1.440  0.00  0.00    +0.292 HD
ENDBRANCH   8  13
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  15
ATOM     15  C   LIG    1        1.099  -1.488   0.907  0.00  0.00    +0.151 C 
ATOM     16  S   LIG    1        0.370  -2.567   1.967  0.00  0.00    -0.017 S 
BRANCH  15  17
ATOM     17  N   LIG    1        2.465  -1.423   0.915  0.00  0.00    -0.296 N 
ATOM     18  H   LIG    1        2.865  -1.903   1.715  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.386  -0.876  -0.001  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        4.710  -0.740   0.438  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1        5.697  -0.217  -0.407  0.00  0.00    +0.061 A 
ATOM     22 CL   LIG    1        7.298  -0.067   0.226  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        5.369   0.159  -1.712  0.00  0.00    +0.059 A 
ATOM     24 CL   LIG    1        6.530   0.808  -2.813  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        4.059  -0.001  -2.164  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        3.075  -0.523  -1.315  0.00  0.00    +0.025 A 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 6