REMARK  Name = BDB003907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.556  -0.371  -0.458  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        3.548  -1.252  -0.047  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        2.247  -0.754   0.146  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.923   0.576  -0.105  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1        0.603   0.914   0.130  0.00  0.00    -0.224 NA
ATOM      6  C   LIG    1       -0.077  -0.128   0.564  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1        2.929   1.438  -0.579  0.00  0.00    +0.031 A 
ATOM      8  S   LIG    1        0.835  -1.572   0.674  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        4.228   0.948  -0.769  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   6  10
ATOM     10  N   LIG    1       -1.449  -0.060   0.858  0.00  0.00    -0.234 N 
ATOM     11  C   LIG    1       -2.152  -1.151   1.352  0.00  0.00    +0.314 C 
ATOM     12  O   LIG    1       -1.691  -2.209   1.774  0.00  0.00    -0.252 OA
ATOM     13  N   LIG    1       -3.521  -1.038   1.397  0.00  0.00    -0.240 N 
ATOM     14  H   LIG    1       -3.795  -1.930   1.801  0.00  0.00    +0.159 HD
ATOM     15  C   LIG    1       -4.207  -0.949   0.216  0.00  0.00    +0.220 C 
ATOM     16  O   LIG    1       -4.819  -1.914  -0.233  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -4.313   0.427  -0.402  0.00  0.00    +0.098 C 
ATOM     18  C   LIG    1       -2.991   1.135  -0.641  0.00  0.00    +0.029 C 
ATOM     19  C   LIG    1       -2.144   1.210   0.622  0.00  0.00    +0.117 C 
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  N   LIG    1        5.829  -0.866  -0.767  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1        6.085  -1.703  -0.252  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1        6.563  -0.165  -0.751  0.00  0.00    +0.142 HD
ENDBRANCH   1  20
TORSDOF 2