REMARK  Name = BDB003091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.425   1.604   0.966  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        1.743   0.774   0.348  0.00  0.00    +0.237 C 
ATOM      3  N   LIG    1        0.392   0.898   0.447  0.00  0.00    -0.263 N 
ATOM      4  H   LIG    1        0.100   1.677   1.026  0.00  0.00    +0.157 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.669   0.206  -0.066  0.00  0.00    +0.165 A 
ATOM      6  S   LIG    1       -0.535  -1.148  -1.082  0.00  0.00    -0.060 S 
ATOM      7  C   LIG    1       -2.243  -1.259  -1.167  0.00  0.00    +0.078 A 
ATOM      8  C   LIG    1       -2.814  -0.257  -0.407  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.892   0.575   0.220  0.00  0.00    -0.223 NA
BRANCH   8  10
ATOM     10  C   LIG    1       -4.256  -0.053  -0.271  0.00  0.00    +0.090 A 
ATOM     11  N   LIG    1       -4.660   1.234  -0.130  0.00  0.00    -0.253 NA
ATOM     12  C   LIG    1       -5.984   1.462   0.001  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -6.941   0.462  -0.004  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -6.515  -0.852  -0.147  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -5.153  -1.119  -0.282  0.00  0.00    +0.030 A 
ENDBRANCH   8  10
ENDBRANCH   3   5
BRANCH   2  16
ATOM     16  C   LIG    1        2.406  -0.327  -0.477  0.00  0.00    +0.212 C 
BRANCH  16  17
ATOM     17  N   LIG    1        3.848  -0.200  -0.377  0.00  0.00    -0.233 N 
ATOM     18  C   LIG    1        4.583  -0.769   0.618  0.00  0.00    +0.223 C 
ATOM     19  O   LIG    1        4.168  -1.520   1.489  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        6.013  -0.342   0.473  0.00  0.00    +0.105 C 
ATOM     21  C   LIG    1        6.017   0.568  -0.743  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1        4.590   0.591  -1.201  0.00  0.00    +0.223 C 
ATOM     23  O   LIG    1        4.183   1.214  -2.170  0.00  0.00    -0.275 OA
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4