REMARK  Name = BDB064037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.625  -2.672  -2.814  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.340  -1.819  -1.998  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.220  -1.170  -0.987  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.517  -1.484  -0.874  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.480  -0.277  -0.241  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.721  -0.356  -0.734  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.854  -1.220  -1.764  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.709  -1.467  -2.246  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.476  -0.927   0.093  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.439   0.418   0.491  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.411   0.888   1.393  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.418   0.059   1.894  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.304   0.662   2.772  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        5.971   1.922   2.931  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.455  -1.284   1.474  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.604   2.467   2.058  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.490  -1.760   0.577  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.752   0.380  -0.242  0.00  0.00    -0.305 N 
ATOM     19  H   LIG    1       -1.417   1.059   0.435  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.922   0.802  -1.013  0.00  0.00    +0.159 C 
ATOM     21  C   LIG    1       -3.808  -0.414  -1.351  0.00  0.00    +0.233 C 
ATOM     22  O   LIG    1       -3.538  -1.174  -2.284  0.00  0.00    -0.274 OA
ATOM     23  N   LIG    1       -4.847  -0.713  -0.512  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1       -5.385  -1.522  -0.804  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1       -5.472   0.243   0.372  0.00  0.00    +0.104 C 
ATOM     26  C   LIG    1       -4.486   1.263   0.915  0.00  0.00    +0.021 C 
ATOM     27  C   LIG    1       -3.699   1.874  -0.241  0.00  0.00    +0.033 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3